In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 26 | Yes |
Popular Name: N-[(4-methoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-[(4-methoxyphenyl)methyl]-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) | 1.54 | 7.56 | -16.01 | 2 | 8 | 0 | 101 | 353.382 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.55 | 7.13 | -61.62 | 1 | 8 | -1 | 104 | 352.374 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.