| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 15 | Yes |
Popular Name: Piperazine, 1-(5-ethoxy-3-pyridinyl)- (9CI) Piperazine, 1-(5-ethoxy-3-pyridi…
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CAS Number: 223795-11-7
| 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) | 0.84 | 1.73 | -45.21 | 2 | 4 | 1 | 42 | 208.285 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.84 | 2.01 | -91.88 | 3 | 4 | 2 | 43 | 209.293 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290-4-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #4 Of 4), Other | Other | 500 | 0.59 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 500 | 0.59 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 500 | 0.59 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.