In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 31st, 2006 | 15 | Yes |
Popular Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetonitrile 2-[(5-phenyl-1H-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) | 2.21 | 6.22 | -16.35 | 1 | 4 | 0 | 65 | 216.269 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 6.06 | -38.23 | 0 | 4 | -1 | 64 | 215.261 | 3 | ↓ |