In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 27 | Yes |
Popular Name: 4-[[5-oxo-4-(p-tolyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]butanenitrile 4-[[5-oxo-4-(p-tolyl)-[1,2,4]tri…
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) | 3.25 | 14.95 | -19.82 | 0 | 6 | 0 | 76 | 375.457 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.