| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 23 | Yes |
Popular Name: (3aS)-2-[(1S)-isochroman-1-yl]-7,7-dimethyl-3a,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (3aS)-2-[(1S)-isochroman-1-yl]-7…
| 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) | 2.43 | 5.52 | -16.82 | 2 | 5 | 0 | 67 | 311.385 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 5.3 | -28.89 | 3 | 5 | 1 | 68 | 312.393 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one](http://zinc12.docking.org/img/rings/397071.gif)
![2-isochroman-1-yl-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one](http://zinc12.docking.org/img/rings/397070.gif)