| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2009 | 11 | Yes |
Popular Name: 5H-Pyrido[3,4-d]azepine, 6,7,8,9-tetrahydro- (9CI) 5H-Pyrido[3,4-d]azepine, 6,7,8,9…
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CAS Number: 228271-47-4
| 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) | 0.28 | 3.51 | -48.37 | 2 | 2 | 1 | 29 | 149.217 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104283-2-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 4), Other | Other | 47 | 0.93 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 47 | 0.93 | Binding ≤ 1μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 47 | 0.93 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.