| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 10th, 2011 | 26 | Yes |
Popular Name: 4-(azepan-1-yl)-N-(5-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-oxo-butanamide 4-(azepan-1-yl)-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) | 2.30 | 9.39 | -16.6 | 1 | 8 | 0 | 92 | 359.43 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 8.67 | -65.69 | 0 | 8 | -1 | 95 | 358.422 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2H-[1,2,4]triazolo[4,3-a]pyridin-3-ylideneamine](http://zinc12.docking.org/img/rings/153815.gif)
![4-(azepan-1-yl)-4-keto-N-(2H-[1,2,4]triazolo[4,3-a]pyridin-3-ylidene)butyramide](http://zinc12.docking.org/img/rings/386381.gif)