| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 30 | 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) | 0.54 | 10.77 | -49.21 | 2 | 8 | 0 | 104 | 409.49 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 10.8 | -47.62 | 1 | 8 | -1 | 103 | 408.482 | 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)
![2-phenyl-5-pyrrolidino-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-1-one](http://zinc12.docking.org/img/rings/40332.gif)