| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 15 | No |
Popular Name: 4-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-5-methyl-1,2,4-triazole-3-thiol 4-[(1S,2S,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) | 1.69 | 8.08 | -10.61 | 1 | 3 | 0 | 34 | 225.361 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.41 | 8.22 | -45.4 | 0 | 3 | -1 | 31 | 224.353 | 1 | ↓ |
