| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 11 | No |
Popular Name: Ethanone, 1-(8-azabicyclo[3.2.1]oct-2-en-2-yl)- (9CI) Ethanone, 1-(8-azabicyclo[3.2.1]…
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CAS Number: 135682-90-5
| 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) | 0.61 | 3.55 | -45.81 | 2 | 2 | 1 | 34 | 152.217 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 2.24 | -5.19 | 1 | 2 | 0 | 29 | 151.209 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290-1-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other | Other | 94 | 0.89 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 94 | 0.89 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 94 | 0.89 | Binding ≤ 10μM |
