| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 28 | Yes |
| 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) | 3.84 | 10.15 | -38.79 | 2 | 4 | 1 | 45 | 444.393 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 8.32 | -8.33 | 1 | 4 | 0 | 44 | 443.385 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,4,5,7,8,9,10,10a-octahydro-2H-pyrido[1,2-a][1,4]diazepin-1-one](http://zinc12.docking.org/img/rings/471620.gif)
![2-benzyl-7-phenyl-3,4,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-1-one](http://zinc12.docking.org/img/rings/471619.gif)