| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 13 | Yes |
Popular Name: 2-chloro-5-(1H-imidazol-1-ylmethyl)pyridine 2-chloro-5-(1H-imidazol-1-ylmeth…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 230617-61-5 , [230617-61-5]
| 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) | 1.37 | 6.91 | -39.96 | 1 | 3 | 1 | 32 | 194.645 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 6.4 | -11.28 | 0 | 3 | 0 | 31 | 193.637 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 100 - 102 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| 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 | 450 | 0.68 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 450 | 0.68 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 450 | 0.68 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
