| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 24 | Yes |
Popular Name: 7-(1H-indol-2-ylmethyl)-2,3-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one 7-(1H-indol-2-ylmethyl)-2,3-dime…
| 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) | 2.11 | 9.61 | -47.15 | 2 | 5 | 1 | 55 | 323.42 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 7.58 | -12.6 | 1 | 5 | 0 | 54 | 322.412 | 2 | ↓ |
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-(1H-indol-2-ylmethyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one](http://zinc12.docking.org/img/rings/606225.gif)