In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 25 | Yes |
Popular Name: N-(3-methoxyphenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(3-methoxyphenyl)-N'-([1,2,4]t…
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) | 1.82 | 7.43 | -16.27 | 2 | 8 | 0 | 101 | 339.355 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.83 | 6.99 | -61.91 | 1 | 8 | -1 | 104 | 338.347 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.