| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 26 | Yes |
Popular Name: 7-[(1-ethylindol-6-yl)methyl]-2,3-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one 7-[(1-ethylindol-6-yl)methyl]-2,…
| 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) | 2.29 | 10.06 | -13.6 | 0 | 5 | 0 | 43 | 350.466 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 12.03 | -45.08 | 1 | 5 | 1 | 44 | 351.474 | 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-(1H-indol-6-ylmethyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one](http://zinc12.docking.org/img/rings/408229.gif)