In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 25 | Yes |
Popular Name: N'-cyclopentyl-N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-cyclopentyl-N-(5-ethoxy-[1,2,…
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) | 2.04 | 7.43 | -16.73 | 2 | 8 | 0 | 101 | 345.403 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 6.88 | -64.68 | 1 | 8 | -1 | 104 | 344.395 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.