In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 13 | Yes |
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) | 1.65 | 2.98 | -43.56 | 2 | 3 | 1 | 39 | 199.661 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104290-4-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #4 Of 4), Other | Other | 220 | 0.72 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 220 | 0.72 | Binding ≤ 1μM |
Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 220 | 0.72 | Binding ≤ 10μM |