| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 13 | Yes |
Popular Name: 8-Isoquinolinamine, 5,6,7,8-tetrahydro-N,N-dimethyl- (9CI) 8-Isoquinolinamine, 5,6,7,8-tetr…
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CAS Number: 497251-70-4
| 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) | 1.45 | 6.19 | -36.27 | 1 | 2 | 1 | 17 | 177.271 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.45 | 6.63 | -97.07 | 2 | 2 | 2 | 19 | 178.279 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104283-1-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other | Other | 330 | 0.70 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 330 | 0.70 | Binding ≤ 1μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 330 | 0.70 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.