| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 11 | Yes |
Popular Name: 2-Propen-1-amine, N-methyl-3-(3-pyridinyl)-, (2E)- (9CI) 2-Propen-1-amine, N-methyl-3-(3-…
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CAS Number: 228271-74-7
| 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) | 1.03 | 3.94 | -43.06 | 2 | 2 | 1 | 29 | 149.217 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 4.38 | -91.6 | 3 | 2 | 2 | 31 | 150.225 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104283-2-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 4), Other | Other | 6000 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 6000 | 0.66 | Binding ≤ 10μM |
