| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 18 | Yes |
Popular Name: (1R,4R)-5-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]-2,5-diazabicyclo[2.2.1]heptane (1R,4R)-5-[(5-bromo-6-chloro-3-p…
| 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) | 1.69 | 1.62 | -50.44 | 2 | 5 | 1 | 67 | 353.649 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 0.32 | -7.79 | 1 | 5 | 0 | 62 | 352.641 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290-4-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #4 Of 4), Other | Other | 17 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 17 | 0.60 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 17 | 0.60 | Binding ≤ 10μM |
