| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2009 | 18 | Yes |
Popular Name: (1R,4R,9aS)-1-ethyl-4-hexyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (1R,4R,9aS)-1-ethyl-4-hexyl-2,3,…
| 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) | 5.83 | 11.8 | -28.5 | 1 | 1 | 1 | 4 | 252.466 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7-4-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #4 Of 4), Eukaryotic | Eukaryotes | 4100 | 0.42 | Functional ≤ 10μM |
| Z104283-2-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #2 Of 4), Other | Other | 2500 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 2500 | 0.44 | Binding ≤ 10μM |
| ACHA7_HUMAN | P36544 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human | 4100 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors |
