| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 2011 | 15 | Yes |
Popular Name: (3aS,10bR)-2,3,3a,4,5,10b-hexahydro-1H-pyrrolo[3,4-d][2]benzazepin-6-one (3aS,10bR)-2,3,3a,4,5,10b-hexahy…
None
| 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) | 0.93 | 2.83 | -51.26 | 3 | 3 | 1 | 46 | 203.265 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 1.41 | -10.21 | 2 | 3 | 0 | 41 | 202.257 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,3a,4,5,10b-hexahydro-1H-pyrrolo[3,4-d][2]benzazepin-6-one](http://zinc12.docking.org/img/rings/462972.gif)