| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2011 | 20 | No |
Popular Name: 4-[(1R,3S,4R)-3,4-dimethylcyclohexyl]-5-(4-pyridyl)-1,2,4-triazole-3-thiol 4-[(1R,3S,4R)-3,4-dimethylcycloh…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.15 | 8.79 | -45.32 | 0 | 4 | -1 | 44 | 287.412 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.42 | 8.67 | -9.4 | 1 | 4 | 0 | 47 | 288.42 | 2 | ↓ |
