| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 35 | 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) | 3.94 | 15 | -38.73 | 1 | 7 | 1 | 73 | 470.597 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 14.63 | -10.18 | 0 | 7 | 0 | 72 | 469.589 | 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)