| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 19 | Yes |
Popular Name: (1S,6R)-9-[5-[(Z)-prop-1-enoxy]-3-pyridyl]-4,9-diazabicyclo[4.2.1]nonane (1S,6R)-9-[5-[(Z)-prop-1-enoxy]-…
| 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) | 1.67 | 4.51 | -44.26 | 2 | 4 | 1 | 42 | 260.361 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 4.81 | -88.15 | 3 | 4 | 2 | 43 | 261.369 | 3 | ↓ |
| 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 | 3 | 0.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 3.1 | 0.63 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 3.1 | 0.63 | Binding ≤ 10μM |
