| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2010 | 17 | Yes |
Popular Name: 2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-5-yl]quinoline 2-[(1R,4R)-2,5-diazabicyclo[2.2.…
| 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) | 2.14 | 6.53 | -45.64 | 2 | 3 | 1 | 33 | 226.303 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 5.23 | -8.28 | 1 | 3 | 0 | 28 | 225.295 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 6.89 | -91.32 | 3 | 3 | 2 | 34 | 227.311 | 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 | 4000 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 4000 | 0.44 | Binding ≤ 10μM |
