| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 14 | Yes |
Popular Name: (1S,5S)-3-(5-methyl-3-pyridyl)-3,6-diazabicyclo[3.2.0]heptane (1S,5S)-3-(5-methyl-3-pyridyl)-3…
None
| 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) | 1.26 | 2.39 | -47.09 | 2 | 3 | 1 | 33 | 190.27 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 2.84 | -89.64 | 3 | 3 | 2 | 34 | 191.278 | 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 | 8000 | 0.51 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104288 | Z104288 | Neuronal Acetylcholine Receptor; Alpha3/beta4 | 8000 | 0.51 | Functional ≤ 10μM |
