| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 18 | No |
Popular Name: 4-[(1R,2S)-1,2-dimethylbutyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-[(1R,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) | 3.21 | 8.26 | -46.7 | 0 | 4 | -1 | 44 | 261.374 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 7.36 | -8.78 | 1 | 4 | 0 | 47 | 262.382 | 4 | ↓ |
