| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2005 | 14 | Yes |
Popular Name: 2,5-DIAZABICYCLO[2.2.1]HEPTANE,2-(4-CHLOROPHENYL)- 2,5-DIAZABICYCLO[2.2.1]HEPTANE,2…
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CAS Numbers: 198988-88-4 , 308103-51-7
| 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) | 2.47 | -3.49 | -40.84 | 2 | 2 | 1 | 20 | 209.7 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0897387A1; WO1997040049A1 | IBM Patent Data |
| 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 | 22 | 0.77 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 22 | 0.77 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 22 | 0.77 | Binding ≤ 10μM |
