| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 15 | No |
Popular Name: 4-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-3-sulfanyl-1H-1,2,4-triazol-5-one 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) | 1.24 | 5.29 | -7.76 | 2 | 4 | 0 | 54 | 227.333 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 5.26 | -31.54 | 1 | 4 | -1 | 51 | 226.325 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
