| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2006 | 16 | Yes |
Popular Name: 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile 2-[(5-phenyl-4H-1,2,4-triazol-3-…
| 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) | 2.57 | 7.05 | -7.75 | 1 | 4 | 0 | 65 | 230.296 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 6.7 | -38.52 | 0 | 4 | -1 | 64 | 229.288 | 3 | ↓ |
