Table 6 Pharmacokinetic profiles and toxicity predictions of compounds.
Compound | Log papp | Log Kp | HIA (%) | Log PS | R-OCT2 | Water solubility | Hepatotoxicity | Skin sensitization |
|---|---|---|---|---|---|---|---|---|
ZINC01532028 | 0.011 | − 2.74 | 100 | − 3.068 | NO | − 4.33 | NO | NO |
ZINC13378516 | 0.6 | − 2.73 | 95.94 | − 1.673 | NO | − 4.3 | YES | NO |
ZINC14824819 | 0.989 | − 2.76 | 91.51 | − 1.897 | NO | − 4.48 | NO | NO |
ZINC95913991 | 0.68 | − 2.73 | 96.21 | − 1.72 | NO | − 4.32 | NO | NO |
ZINC13375652 | 1.25 | − 2.91 | 94.45 | − 1.969 | NO | − 4.554 | NO | NO |
ZINC01619649 | 1.15 | − 2.71 | 98.25 | − 2.84 | NO | − 4.81 | NO | NO |
ZINC14679204 | 1.018 | − 2.733 | 92.46 | − 2.094 | NO | − 3.6 | NO | NO |
ZINC85491556 | 1.37 | − 2.73 | 94.35 | − 2.83 | NO | − 3.34 | NO | NO |
ZINC85510542 | 1.242 | − 2.83 | 95.78 | − 1.92 | NO | − 3.73 | NO | NO |
