| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 15 | Yes |
Popular Name: 5,9-Methanoimidazo[4,5-h][3]benzazepine, 1,5,6,7,8,9-hexahydro- (9CI) 5,9-Methanoimidazo[4,5-h][3]benz…
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CAS Number: 357424-12-5
| 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) | 0.70 | 5.29 | -44.39 | 3 | 3 | 1 | 45 | 200.265 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104283-1-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other | Other | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 0.15 | 0.92 | Binding ≤ 1μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 0.15 | 0.92 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.