In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 23 | Yes |
Popular Name: 4-(azepan-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide 4-(azepan-1-yl)-4-oxo-N-([1,2,4]…
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) | 1.75 | 9.38 | -14.51 | 1 | 7 | 0 | 83 | 315.377 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 8.94 | -61.94 | 0 | 7 | -1 | 86 | 314.369 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.