| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 18 | No |
Popular Name: 4-[(1S,2S)-1,2-dimethylbutyl]-5-phenyl-1,2,4-triazole-3-thiol 4-[(1S,2S)-1,2-dimethylbutyl]-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) | 3.55 | 9.83 | -9.14 | 1 | 3 | 0 | 34 | 261.394 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.28 | 9.87 | -47.81 | 0 | 3 | -1 | 31 | 260.386 | 4 | ↓ |
