| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 15 | Yes |
Popular Name: 1-BLAHylethanone 1-BLAHylethanone
| 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) | 1.13 | 6.04 | -46.11 | 2 | 2 | 1 | 34 | 202.277 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104282-1-O | Acetylcholine Receptor; Alpha1/beta1/delta/gamma (cluster #1 Of 1), Other | Other | 650 | 0.58 | Binding ≤ 10μM |
| Z104283-2-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 4), Other | Other | 0 | 0.00 | Binding ≤ 10μM |
| Z104288-1-O | Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 2), Other | Other | 69 | 0.67 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104282 | Z104282 | Acetylcholine Receptor; Alpha1/beta1/delta/gamma | 650 | 0.58 | Binding ≤ 1μM |
| Z104288 | Z104288 | Neuronal Acetylcholine Receptor; Alpha3/beta4 | 69 | 0.67 | Binding ≤ 1μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 0.17 | 0.91 | Binding ≤ 1μM |
| Z104282 | Z104282 | Acetylcholine Receptor; Alpha1/beta1/delta/gamma | 650 | 0.58 | Binding ≤ 10μM |
| Z104288 | Z104288 | Neuronal Acetylcholine Receptor; Alpha3/beta4 | 69 | 0.67 | Binding ≤ 10μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 0.17 | 0.91 | Binding ≤ 10μM |
