| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2005 | 15 | Yes |
Popular Name: N-methylcytisine N-methylcytisine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 486-86-2 , [486-86-2]
| 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) | 0.86 | 6.88 | -43.84 | 1 | 3 | 1 | 26 | 205.281 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | -0.75 | -17.01 | 5 | 10 | 0 | 159 | 448.424 | 10 | ↓ |
| 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 | 112 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 112.201845 | 0.65 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 112.201845 | 0.65 | Binding ≤ 10μM |
