| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 15 | Yes |
Popular Name: 4-Pyridinamine, N-2-propenyl-N-1H-pyrrol-1-yl- (9CI) 4-Pyridinamine, N-2-propenyl-N-1…
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CAS Number: 111225-43-5
| 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) | 1.98 | 7.15 | -4.66 | 0 | 3 | 0 | 21 | 199.257 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.98 | 7.44 | -37.5 | 1 | 3 | 1 | 22 | 200.265 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303-4-O | Muscarinic Acetylcholine Receptor (cluster #4 Of 7), Other | Other | 6900 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 6900 | 0.48 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.