In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2005 | 13 | Yes |
Popular Name: N-Methyl-1-((pyridin-3-yloxy)methyl)cyclopropanamine N-Methyl-1-((pyridin-3-yloxy)met…
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CAS Number: 387844-92-0
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) | 1.14 | 3.62 | -36.62 | 2 | 3 | 1 | 39 | 179.243 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.14 | 3.89 | -84.72 | 3 | 3 | 2 | 40 | 180.251 | 4 | ↓ |
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 | 3 | 0.92 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 3 | 0.92 | Binding ≤ 1μM |
Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 3 | 0.92 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.