In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 25 | Yes |
Popular Name: N-(4-bromo-3-methyl-phenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(4-bromo-3-methyl-phenyl)-N'-(…
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) | 2.97 | 9.33 | -15.25 | 2 | 7 | 0 | 92 | 402.252 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 8.9 | -60.6 | 1 | 7 | -1 | 95 | 401.244 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.