| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 13 | Yes |
Popular Name: 1-(((6-Methylpyridin-3-yl)oxy)methyl)cyclopropanamine 1-(((6-Methylpyridin-3-yl)oxy)me…
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CAS Number: 959957-86-9
| 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) | 0.82 | 2.41 | -42.71 | 3 | 3 | 1 | 50 | 179.243 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.82 | 2.79 | -89.19 | 4 | 3 | 2 | 51 | 180.251 | 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 | 266 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 266 | 0.71 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 266 | 0.71 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.