| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 17 | No |
Popular Name: 4-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(1S,2R,4R)-2,4-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) | 2.74 | 7.94 | -6.41 | 1 | 3 | 0 | 34 | 253.415 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 7.85 | -38.74 | 0 | 3 | -1 | 31 | 252.407 | 2 | ↓ |
