| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 14 | No |
Popular Name: 4-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1,2,4-triazole-3-thiol 4-[(1S,2R,4S)-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) | 1.60 | 7.57 | -11.31 | 1 | 3 | 0 | 34 | 211.334 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 7.71 | -45.77 | 0 | 3 | -1 | 31 | 210.326 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
