| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2006 | 17 | Yes |
Popular Name: 2-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile 2-[[5-(4-methoxyphenyl)-4H-1,2,4…
| 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) | 2.27 | 5.51 | -9.83 | 1 | 5 | 0 | 75 | 246.295 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 5.31 | -38.1 | 0 | 5 | -1 | 73 | 245.287 | 4 | ↓ |
