| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 18 | Yes |
Popular Name: (3aR)-2-(4-pyridylmethyl)-5,6,7,8-tetrahydro-3aH-imidazo[4,5-c]azepin-4-one (3aR)-2-(4-pyridylmethyl)-5,6,7,…
| 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) | 0.69 | 3.01 | -21.81 | 2 | 5 | 0 | 71 | 242.282 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 3.43 | -40.96 | 3 | 5 | 1 | 72 | 243.29 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 3.47 | -44.45 | 3 | 5 | 1 | 72 | 243.29 | 2 | ↓ |
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-(4-pyridylmethyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one](http://zinc12.docking.org/img/rings/405053.gif)