In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 29 | Yes |
Popular Name: N'-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(4-ethylphenyl)methyl]butanediamide N'-(5-ethoxy-[1,2,4]triazolo[4,3…
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) | 2.96 | 9.71 | -16.48 | 2 | 8 | 0 | 101 | 395.463 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.97 | 9.17 | -63.75 | 1 | 8 | -1 | 104 | 394.455 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.