| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 17 | No |
Popular Name: 4-[(1R,2R)-2-ethylcyclohexyl]-5-isopropyl-1,2,4-triazole-3-thiol 4-[(1R,2R)-2-ethylcyclohexyl]-5-…
| 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) | 3.24 | 9.51 | -9.78 | 1 | 3 | 0 | 34 | 253.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 9.62 | -47.56 | 0 | 3 | -1 | 31 | 252.407 | 3 | ↓ |
