| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 24 | Yes |
Popular Name: 2,3-dimethyl-7-[3-(2-pyridyl)propanoyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one 2,3-dimethyl-7-[3-(2-pyridyl)pro…
| 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) | 0.48 | 7.62 | -17.1 | 0 | 6 | 0 | 68 | 326.4 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.48 | 7.97 | -48 | 1 | 6 | 1 | 69 | 327.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one](http://zinc12.docking.org/img/rings/397488.gif)
![7-[3-(2-pyridyl)propanoyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one](http://zinc12.docking.org/img/rings/419307.gif)