UPCMLD Library Scaffolds

Scaffold No. | Structure | Properties (Average±SD) | Link to QikProp File |
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1 | Number of Compounds 246 Purity - Molecular Weight (g/mol) 479 ± 128 Amount (mg) 15.5 ± 6.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculation N |
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2 (UPCMLD 2a) | Number of Compounds 179 Purity (%) 94 ± 8.5 Molecular Weight (g/mol) 614 ± 63 Amount (mg) 11.6 ± 5.9 ClogP 6.6 ± 1.3 Number of H-Bond Donors 0.5 ± 0.7 Number of H-Bond Acceptors 9.6 ± 1.3 QikProp Calculations Y |
QP 1B | |

3 (UPCMLD 1b) | Number of Compounds 42 Purity (%) 93 ± 5.4 Molecular Weight (g/mol) 398 ± 51 Amount (mg) 12.7 ± 5.9 ClogP 6.4 ± 1.1 Number of H-Bond Donors 1 ± 0 Number of H-Bond Acceptors 3.3 ± 1.2 QikProp Calculations Y |
QP 1A | |

4 | Number of Compounds 33 Purity - Molecular Weight (g/mol) 629 ± 76 Amount (mg) 13.2 ± 4.6 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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5 | Number of Compounds 32 Purity - Molecular Weight (g/mol) 270 ± 29 Amount (mg) 16.4 ± 2.5 ClogP 5.8 ± 0.6 Number of H-Bond Donors 0.5 ± 0.5 Number of H-Bond Acceptors 1.9 ± 0.2 QikProp Calculations Y |
QP 1D | |

6 | Number of Compounds 32 Purity - Molecular Weight (g/mol) 476 ± 115 Amount (mg) 26.8 ± 20.7 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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7 (UPCMLD 1a) | Number of Compounds 30 Purity (%) 96 ± 4.7 Molecular Weight (g/mol) 419 ± 56 Amount (mg) 15.8 ± 4.7 ClogP 5.8 ± 1.0 Number of H-Bond Donors 1 ± 0 Number of H-Bond Acceptors 5.0 ± 1.5 QikProp Calculations Y |
QP 3A | |

8 | Number of Compounds 22 Purity - Molecular Weight (g/mol) 473 ± 105 Amount (mg) 5.4 ± 1.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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9 | Number of Compounds 16 Purity - Molecular Weight (g/mol) 248 ± 42 Amount (mg)13.6 ± 6.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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10 | Number of Compounds 15 Purity - Molecular Weight (g/mol) 347 ± 37 Amount (mg) 6.2 ± 2.9 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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11 | Number of Compounds 15 Purity - Molecular Weight (g/mol) 425 ± 47 Amount (mg) 16.1 ± 4.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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12 | Number of Compounds 15 Purity - Molecular Weight (g/mol) 406 ± 106 Amount (mg) 15.0 ± 7.9 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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13 | Number of Compounds 15 Purity(%) 92 ± 4.37 Molecular Weight (g/mol) 355 ± 61 Amount (mg) 11.4 ± 5.2 ClogP 4.5 ± 0.8 Number of H-Bond Donors 0.2 ± 0.6 Number of H-Bond Acceptors 4.3 ± 1.0 QikProp Calculations Y |
QP 2E | |

14 | Number of Compounds 14 Purity - Molecular Weight (g/mol) 532 ± 79 Amount (mg)3.9 ± 2.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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15 | Number of Compounds 11 Purity - Molecular Weight (g/mol) 219 ± 19 Amount (mg) 19.2 ± 0.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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16 | Number of Compounds 11 Purity(%) 95 ± 4.9 Molecular Weight (g/mol) 342 ± 61 Amount (mg) 11.1 ± 6.2 ClogP 5.3 ± 0.8 Number of H-Bond Donors 1.1 ± 0.2 Number of H-Bond Acceptors 2.8 ± 0.6 QikProp Calculations Y |
QP 2A | |

17 | Number of Compounds 11 Purity - Molecular Weight (g/mol) 592 ± 86 Amount (mg) 4.4 ± 1.4 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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18 | Number of Compounds 11 Purity (%) 96 ± 4.37 Molecular Weight (g/mol) 238 ± 29 Amount (mg) 10.3 ± 6.5 ClogP 3.5 ± 0.8 Number of H-Bond Donors 0.0 Number of H-Bond Acceptors 2.8 ± 0.7 QikProp Calculations Y |
OP 3E | |

19 | Number of Compounds 10 Purity - Molecular Weight (g/mol) 436 ± 54 Amount (mg) 6.0 ± 1.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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20 | Number of Compounds 8 Purity - Molecular Weight (g/mol) 413 ± 65 Amount (mg) 5.8 ± 2.2 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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21 | Number of Compounds 8 Purity - Molecular Weight (g/mol) 402 ± 85 Amount (mg) 6.9 ± 5.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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22 | Number of Compounds 7 Purity - Molecular Weight (g/mol) 485 ± 33 Amount (mg) 10.3 ± 4.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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23 | Number of Compounds 7 Purity - Molecular Weight (g/mol) 443 ± 44 Amount (mg) 18.0 ± 3.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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24 | Number of Compounds 7 Purity - Molecular Weight (g/mol) 421 ± 63 Amount (mg) 17.2 ± 4.6 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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25 | Number of Compounds 7 Purity - Molecular Weight (g/mol) 346 ± 156 Amount (mg) 10.0 ± 14.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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26 | Number of Compounds 7 Purity - Molecular Weight (g/mol) 363 ± 12 Amount (mg) 5.9 ± 0.6 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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27 | Number of Compounds 7 Purity - Molecular Weight (g/mol) 215 ± 62 Amount (mg) 17.4 ± 9.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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28 | Number of Compounds 7 Purity - Molecular Weight (g/mol)170 ± 55 Amount (mg) 18.4 ± 4.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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29 | Number of Compounds 6 Purity - Molecular Weight (g/mol) 307 ± 70 Amount - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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30 | Number of Compounds 6 Purity - Molecular Weight (g/mol) 435 ± 21 Amount (mg) 21.0 ± 23.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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31 | Number of Compounds 6 Purity - Molecular Weight (g/mol) 333 ± 52 Amount (mg) 8.7 ± 6.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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32 | Number of Compounds 6 Purity - Molecular Weight (g/mol) 462 ± 127 Amount (mg) 15.1 ± 6.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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33 | Number of Compounds 6 Purity - Molecular Weight (g/mol) 665 ± 81 Amount (mg) 6.1 ± 5.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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34 | Number of Compounds 5 Purity - Molecular Weight (g/mol) 505 ± 60 Amount (mg) 7.0 ± 6.8 ClogP 6.9 ± 1.0 Number of H-Bond Donors 0 ± 0 Number of H-Bond Acceptors 5.5 ± 0 QikProp Calculations Y |
QP 3D | |

35 | Number of Compounds 5 Purity - Molecular Weight (g/mol)426 ± 7 Amount (mg) 5.6 ± 0.2 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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36 | Number of Compounds 5 Purity - Molecular Weight (g/mol) 781 ± 34 Amount (mg) 3.5 ± 1.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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37 | Number of Compounds 5 Purity - Molecular Weight (g/mol) 235 ± 51 Amount (mg) 13.4 ± 7.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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38 | Number of Compounds 5 Purity - Molecular Weight (g/mol) 297 ± 66 Amount (mg) 12.2 ± 7.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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39 | Number of Compounds 5 Purity - Molecular Weight (g/mol) 403 ± 87 Amount (mg) 11.8 ± 9.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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40 | Number of Compounds 5 Purity - Molecular Weight (g/mol) 238 ± 125 Amount (mg) 8.9 ± 6.67 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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41 | Number of Compounds 5 Purity - Molecular Weight (g/mol) 346 ± 65 Amount (mg) 4.5 ± 4.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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42 | Number of Compounds 5 Purity - Molecular Weight (g/mol) 222 ± 36 Amount (mg) 19.6 ± 0.4 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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43 | Number of Compounds 4 Purity - Molecular Weight (g/mol) 281 ± 48 Amount (mg) 19.8 ± 0.9 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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44 | Number of Compounds 4 Purity - Molecular Weight (g/mol) 223 ± 43 Amount (mg) 9.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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45 | Number of Compounds 4 Purity - Molecular Weight (g/mol) 254 ± 8 Amount (mg) 19.8 ± 0.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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46 | Number of Compounds 4 Purity - Molecular Weight (g/mol) 248 ± 53 Amount (mg) 13.0 ± 5.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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47 | Number of Compounds 4 Purity - Molecular Weight (g/mol) 308 ± 45 Amount (mg) 10.7 ± 6.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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48 | Number of Compounds 4 Purity - Molecular Weight (g/mol) 198 ± 21 Amount (mg)19.6 ± 0.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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49 | Number of Compounds 4 Purity(%) 97 ± 3.32 Molecular Weight (g/mol) 210 ± 20 Amount (mg) 17.2 ± 3.0 ClogP 3.2 ± 0.4 Number of H-Bond Donors 1.3 ± 0.3 Number of H-Bond Acceptors 3.1 ± 1.0 QikProp Calculations Y |
QP 1E | |

50 | Number of Compounds 4 Purity (%) 97 ± 5.4 Molecular Weight (g/mol) 239 ± 19 Amount (mg) 12.6 ± 4.4 ClogP 3.7 ± 0.5 Number of H-Bond Donors 0.3 ± 0.5 Number of H-Bond Acceptors 2.0 ± 0.8 QikProp Calculations Y |
QP 10E | |

51 | Number of Compounds 3 Purity (%) 84 ± 17.2 Molecular Weight (g/mol) 564 ± 115 Amount (mg) 19.5 ± 0.4 ClogP 7.3 ± 0.4 Number of H-Bond Donors 1 ± 0 Number of H-Bond Acceptors 7.9 ± 7.2 QikProp Calculations Y |
QP 1C | |

52 | Number of Compounds 3 Purity (%) 91 ± 13.1 Molecular Weight (g/mol) 397 ± 9 Amount (mg) 4.7 ± 1.97 ClogP 5.1 ± 0.7 Number of H-Bond Donors 1 ± 0 Number of H-Bond Acceptors 6.7 ± 1.2 QikProp Calculations Y |
QP 4C | |

53 | Number of Compounds 3 Purity (%) 100 Molecular Weight (g/mol) 412 ± 8 Amount (mg) 7.3 ± 6.2 ClogP 4.5 ± 0.3 Number of H-Bond Donors 1 ± 0 Number of H-Bond Acceptors 7.3 ± 0 QikProp Calculations Y |
QP 7C | |

54 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 531 ± 35 Amount (mg) 5.9 ± 5.4 ClogP 7.6 ± 0.5 Number of H-Bond Donors 0 ± 0 Number of H-Bond Acceptors 5.5 ± 0 QikProp Calculations Y |
QP 2D | |

55 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 334 ± 63 Amount - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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56 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 151 ± 44 Amount (mg) 10.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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57 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 291 ± 32 Amount (mg) 6.6 ± 0.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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58 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 144 ± 9 Amount (mg)14.3 ± 4.4 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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59 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 159 ± 22 Amount (mg) 15.9 ± 3.7 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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60 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 290 ± 144 Amount (mg) 8 ± 8.2 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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61 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 195 ± 81 Amount (mg) 10.7 ± 8.6 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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62 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 239 ± 86 Amount (mg) 12.2± 6.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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63 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 270 ± 77 Amount (mg) 7.4 ± 5.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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64 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 402 ±10 Amount (mg)19.8 ± 0.4 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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65 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 316 ± 149 Amount (mg)19.6 ± 0.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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66 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 212 ± 13 Amount (mg)18.7 ± 1.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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67 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 185 ± 33 Amount (mg) 18.2 ± 1.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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68 | Number of Compounds 3 Purity - Molecular Weight (g/mol) 267 ± 17 Amount (mg) 19.6 ± 0.4 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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69 | Number of Compounds 3 Purity (%) 94 ± 4.9 Molecular Weight (g/mol) 314 ± 20 Amount (mg) 14.7 ± 4.9 ClogP 5.5 ± 0.4 Number of H-Bond Donors 1.7 ± 0.6 Number of H-Bond Acceptors 2.5 ± 0 QikProp Calculations Y |
QP 4E | |

70 | Number of Compounds 2 Purity (%) 92 ± 0.5 Molecular Weight (g/mol) 444 ± 47 Amount (mg) 13.7 ± 7.8 ClogP 7.7 ± 1.4 Number of H-Bond Donors 1 ± 0 Number of H-Bond Acceptors 3.3 ± 1.1 QikProp Calculations Y |
QP 4A | |

71 | Number of Compounds 2 Purity (%) 84 ± 6.5 Molecular Weight (g/mol) 479 ± 20 Amount (mg) 7.4 ± 0.8 ClogP 5.5 ± 0.1 Number of H-Bond Donors 1 ± 0 Number of H-Bond Acceptors 8 ± 0 QikProp Calculations Y |
QP 5C | |

72 | Number of Compounds 2 Purity (%) 99 ± 4.5 Molecular Weight (g/mol) 420 ± 112 Amount (mg) 17.8 ± 0.5 ClogP 5.3 ± 0.8 Number of H-Bond Donors 0.5 ± 0.7 Number of H-Bond Acceptors 5.7 ± 2.8 QikProp Calculations Y |
QP 6C | |

73 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 276 ± 35 Amount (mg) - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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74 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 672 ± 10 Amount (mg) 4.7 ± 0.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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75 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 314 ± 10 Amount (mg) 2.7 ± 1.6 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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76 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 218 ± 0 Amount (mg) 15.6 ± 2.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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77 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 385 ± 1 Amount (mg) 15.3 ± 7.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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78 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 174 ± 10 Amount (mg) 12.7 ± 0.6 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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79 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 310 ± 1 Amount (mg) 15.6 ± 2.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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80 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 383 ± 118 Amount (mg) 18.3 ± 1.7 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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81 | Number of Compounds 2 Purity - Molecular Weight (g/mol)282 ± 10 Amount (mg) 19.0 ± 10.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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82 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 275.3 ± 0 Amount (mg) 11.1 ± 3.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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83 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 483 ± 149 Amount (mg) 22.5 ± 6.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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84 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 278 ± 0 Amount (mg) 12.8 ± 7.7 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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85 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 284 ± 22 Amount (mg) 20.7 ± 9.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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86 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 267 ± 10 Amount (mg) 20.1 ± 0.4 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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87 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 319 ± 169 Amount (mg) 11 ± 5.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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88 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 546 ± 20 Amount (mg) 11.1 ± 4.7 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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89 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 281 ± 58 Amount (mg) 18.6 ± 0.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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90 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 523 ± 46 Amount (mg) 19.8 ± 0.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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91 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 632 ± 197 Amount (mg) 14.6 ± 8.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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92 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 308 ± 44 Amount (mg) 17.6 ± 3.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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93 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 345 ± 10 Amount (mg) 19.7 ± 0.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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94 | Number of Compounds 2 Purity - Molecular Weight (g/mol) 291 ± 22 Amount (mg) 19.7 ± 0.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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95 | Number of Compounds 2 Purity (%) 97 ± 4.62 Molecular Weight (g/mol) 191 ± 3 Amount (mg) 18.0 ± 0.5 ClogP 2.9 ± 0.9 Number of H-Bond Donors 2 ± 0.7 Number of H-Bond Acceptors 1.9 ± 1.2 QikProp Calculations Y |
QP 5E | |

96 | Number of Compounds 2 Purity (%) 91 ± 6.1 Molecular Weight (g/mol) 284 ± 14 Amount (mg) 14.3 ± 7.1 ClogP 5.0 ± 0.2 Number of H-Bond Donors 1 ± 0 Number of H-Bond Acceptors 1 ± 0 QikProp Calculations Y |
QP 6E | |

97 | Number of Compounds 2 Purity (%) 100 Molecular Weight (g/mol) 314 ± 32 Amount (mg) 18.4 ± 1.4 ClogP 4.5 ± 0.9 Number of H-Bond Donors 1 ± 0 Number of H-Bond Acceptors 2.5 ± 0 QikProp Calculations Y |
QP 8E | |

98 | Number of Compounds 1 Purity (%) 100 Molecular Weight (g/mol) 215 Amount (mg) 9.4 ClogP 2.3 Number of H-Bond Donors 0.0 Number of H-Bond Acceptors 3.0 QikProp Calculations Y |
QP 2C | |

99 | Number of Compounds 1 Purity (%) 95 Molecular Weight (g/mol) 500 Amount (mg) 18.2 ClogP 6.6 Number of H-Bond Donors 1.0 Number of H-Bond Acceptors 7.3 QikProp Calculations Y |
QP 3C | |

100 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 359 Amount (mg) 38.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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101 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 375 Amount (mg) 19.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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102 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 436 Amount (mg) - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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103 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 751 Amount (mg) - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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104 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 338 Amount (mg) - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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105 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 278 Amount (mg) - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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106 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 390 Amount (mg) - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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107 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 336 Amount (mg) - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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108 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 259 Amount (mg) - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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109 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 148 Amount (mg) - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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110 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 618 Amount (mg) - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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111 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 218 Amount (mg) - ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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112 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 538 Amount (mg) 4.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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113 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 574 Amount (mg) 4.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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114 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 201 Amount (mg) 1.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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115 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 343 Amount (mg) 4.2 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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116 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 327 Amount (mg) 44.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
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117 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 313 Amount (mg) 50.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

118 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 308 Amount (mg) 20.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

119 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 296 Amount (mg) 19.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

120 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 266 Amount (mg) 3.9 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

121 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 156 Amount (mg) 10.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

122 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 108 Amount (mg) 16.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

123 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 238 Amount (mg) 21.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

124 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 394 Amount (mg) 17.2 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

125 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 295 Amount (mg) 7.9 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

126 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 151 Amount (mg) 5.4 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

127 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 314 Amount (mg) 14.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

128 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 423 Amount (mg) 3.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

129 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 313 Amount (mg) 10.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

130 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 302 Amount (mg) 12.2 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

131 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 245 Amount (mg) 27.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

132 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 275 Amount (mg) 10.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

133 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 197 Amount (mg) 19.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

134 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 685 Amount (mg) 5.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

135 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 416 Amount (mg) 6.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

136 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 373 Amount (mg) 20.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

137 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 596 Amount (mg) 8.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

138 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 290 Amount (mg) 7.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

139 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 262 Amount (mg) 19.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

140 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 394 Amount (mg) 24.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

141 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 343 Amount (mg) 18.6 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

142 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 265 Amount (mg) 10.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

143 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 274 Amount (mg) 3.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

144 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 315 Amount (mg) 17.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

145 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 189 Amount (mg) 17.6 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

147 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 418 Amount (mg) 18.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

149 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 327 Amount (mg) 9.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

150 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 289 Amount (mg) 4.4 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

151 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 711 Amount (mg) 26.4 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

152 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 159 Amount (mg) 0.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

153 | Number of Compounds 1 |
||

154 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 180 Amount (mg) 17.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

155 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 379 Amount (mg) 51.7 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

156 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 263 Amount (mg) 19.2 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

157 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 191 Amount (mg) 19.7 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

158 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 343 Amount (mg) 19.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

159 | Number of Compounds 1 Purity - Molecular Weight (g/mol)326 Amount (mg) 18.9 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

161 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 308 Amount (mg) 20.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

162 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 215 Amount (mg) 20.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

163 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 656 Amount (mg) 20.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

164 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 499 Amount (mg) 19.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

165 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 392 Amount (mg) 19.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

166 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 345 Amount (mg) 2.2 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

167 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 154 Amount (mg) 1.4 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

168 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 346 Amount (mg) 3.2 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

169 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 635 Amount (mg) 19.2 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

170 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 517 Amount (mg) 20.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

171 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 330 Amount (mg) 19.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

172 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 813 Amount (mg) 20.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

173 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 221 Amount (mg) 19.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

174 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 635 Amount (mg) 19.2 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

175 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 252 Amount (mg) 20.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

176 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 265 Amount (mg) 20.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

177 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 173 Amount (mg) 19.4 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

178 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 146 Amount (mg) 20.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

179 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 194 Amount (mg) 19.7 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

180 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 463 Amount (mg) 3.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

181 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 226 Amount (mg) 19.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

182 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 311 Amount (mg) 20.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

183 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 101 Amount (mg) 19.6 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

184 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 132 Amount (mg) 19.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

185 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 352 Amount (mg) 39.9 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

186 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 297 Amount (mg) 19.9 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

187 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 393 Amount (mg) 20.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

188 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 132 Amount (mg) 19.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

189 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 236 Amount (mg) 19.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

190 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 170 Amount (mg) 19.8 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

192 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 293 Amount (mg) 19.3 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

193 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 298 Amount (mg) 20.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

194 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 260 Amount (mg) 20.1 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

196 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 312 Amount (mg) 19.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

197 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 508 Amount (mg) 19.7 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

198 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 291 Amount (mg) 19.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

199 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 285 Amount (mg) 19.7 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

200 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 235 Amount (mg) 19.5 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

201 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 195 Amount (mg) 4.0 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

202 | Number of Compounds 1 Purity - Molecular Weight (g/mol) 256 Amount (mg) 54.6 ClogP - Number of H-Bond Donors - Number of H-Bond Acceptors - QikProp Calculations N |
||

203 | Number of Compounds 1 Purity 100 Molecular Weight (g/mol) 307 Amount (mg) 19.0 ClogP 5.3 Number of H-Bond Donors 1.0 Number of H-Bond Acceptors 3.3 QikProp Calculations Y |
QP 7E | |

204 | Number of Compounds 1 Purity 92 Molecular Weight (g/mol) 333 Amount (mg) 19.5 ClogP 2.5 Number of H-Bond Donors 0.0 Number of H-Bond Acceptors 6.0 QikProp Calculations N |
QP 9E | |