In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2006 | 29 | Yes |
Popular Name: 4-[[4-(4-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile 4-[[4-(4-methoxyphenyl)-5-(3-pyr…
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) | 4.10 | 12.37 | -13.51 | 0 | 6 | 0 | 77 | 399.479 | 6 | ↓ |