In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2005 | 14 | Yes |
Popular Name: 2-chloro-5-(1-piperidinylmethyl)pyridine 2-chloro-5-(1-piperidinylmethyl)…
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CAS Number: 230617-67-1
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) | 2.43 | 0.33 | -41.46 | 1 | 2 | 1 | 17 | 211.716 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 54 - 55 | KeyOrganics |
Purity | 95% | Fluorochem |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104290-1-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other | Other | 14 | 0.79 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 14 | 0.79 | Binding ≤ 1μM |
Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 14 | 0.79 | Binding ≤ 10μM |