| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 26 | Yes |
Popular Name: 2-[8-(azepan-1-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-butyl-N-methyl-acetamide 2-[8-(azepan-1-yl)-3-oxo-[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) | 2.00 | 10.77 | -17.25 | 0 | 8 | 0 | 76 | 360.462 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 11.05 | -42 | 1 | 8 | 1 | 77 | 361.47 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one](http://zinc12.docking.org/img/rings/375961.gif)
![8-(azepan-1-yl)-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one](http://zinc12.docking.org/img/rings/376442.gif)