| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 15 | Yes |
Popular Name: 3-Pyridinecarbonitrile, 5-(1S,5S)-3,6-diazabicyclo[3.2.0]hept-3-yl- (9CI) 3-Pyridinecarbonitrile, 5-(1S,5S…
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CAS Number: 799279-93-9
| 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) | 0.57 | 2.08 | -48.04 | 2 | 4 | 1 | 57 | 201.253 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104288-1-O | Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 1), Other | Other | 7100 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104288 | Z104288 | Neuronal Acetylcholine Receptor; Alpha3/beta4 | 7100 | 0.48 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.