| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 16 | Yes |
Popular Name: (6-chloro-3-pyridyl)-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-5-yl]methanone (6-chloro-3-pyridyl)-[(1S,4S)-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) | 0.44 | 3.14 | -60.17 | 2 | 4 | 1 | 50 | 238.698 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 1.88 | -11.03 | 1 | 4 | 0 | 45 | 237.69 | 1 | ↓ |
| 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 | 590 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 590 | 0.55 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 590 | 0.55 | Binding ≤ 10μM |
