| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 14 | Yes |
Popular Name: 2-Pyridinamine, 5-(1R,4R)-2,5-diazabicyclo[2.2.1]hept-2-yl- (9CI) 2-Pyridinamine, 5-(1R,4R)-2,5-di…
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CAS Number: 286943-95-1
| 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) | 0.55 | 2.56 | -84.91 | 5 | 4 | 2 | 60 | 192.266 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 0.79 | -4.86 | 3 | 4 | 0 | 54 | 190.25 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 1.26 | -27.65 | 4 | 4 | 1 | 55 | 191.258 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.55 | 2.09 | -43.6 | 4 | 4 | 1 | 59 | 191.258 | 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 | 20 | 0.77 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 20 | 0.77 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 20 | 0.77 | Binding ≤ 10μM |
