In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 13th, 2008 | 29 | Yes |
Popular Name: 3-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic 3-[[4-(p-tolyl)-5-(4-pyridyl)-1,…
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) | 4.41 | 12.96 | -57.64 | 0 | 6 | -1 | 84 | 401.471 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.