| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2009 | 16 | Yes |
Popular Name: 1,5-Methano-3-benzazocine, 8-ethoxy-1,2,3,4,5,6-hexahydro- (9CI) 1,5-Methano-3-benzazocine, 8-eth…
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CAS Number: 248276-01-9
| 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) | 2.25 | 6.36 | -38.04 | 2 | 2 | 1 | 26 | 218.32 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104283-3-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #3 Of 4), Other | Other | 13 | 0.69 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 13 | 0.69 | Binding ≤ 1μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 13 | 0.69 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.