| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2011 | 18 | Yes |
Popular Name: 3-[(3R,8aR)-1-oxo-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-3-yl]benzonitrile 3-[(3R,8aR)-1-oxo-3,5,6,7,8,8a-h…
| 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) | 1.50 | 3.13 | -9.17 | 1 | 4 | 0 | 56 | 241.294 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | 5.36 | -46.39 | 2 | 4 | 1 | 57 | 242.302 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one](http://zinc12.docking.org/img/rings/333870.gif)
![3-phenyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one](http://zinc12.docking.org/img/rings/333869.gif)