| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 36 | No |
| 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 | 16.23 | -44.17 | 1 | 9 | 1 | 110 | 485.568 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 16.12 | -13.16 | 0 | 9 | 0 | 109 | 484.56 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4a,5,6,7,8,9-hexahydro-2H-pyrimido[1,6-a]azepin-1-one](http://zinc12.docking.org/img/rings/40062.gif)
![3-(benzalamino)-2-phenyl-5-pyrrolidino-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-1-one](http://zinc12.docking.org/img/rings/40061.gif)