| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 16 | Yes |
Popular Name: (1R,4R)-2-(6-chloro-3-pyridyl)-5-ethyl-2,5-diazabicyclo[2.2.1]heptane (1R,4R)-2-(6-chloro-3-pyridyl)-5…
| 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) | 2.36 | 4.35 | -40.29 | 1 | 3 | 1 | 21 | 238.742 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 2.02 | -4.54 | 0 | 3 | 0 | 19 | 237.734 | 2 | ↓ |
| 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 | 34 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 34 | 0.65 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 34 | 0.65 | Binding ≤ 10μM |
