| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 12 | Yes |
Popular Name: Isoxazole, 3-methyl-5-[(Z)-3-pyrrolidinylidenemethyl]- (9CI) Isoxazole, 3-methyl-5-[(Z)-3-pyr…
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CAS Number: 345911-06-0
| 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) | 1.28 | 4.09 | -41.45 | 2 | 3 | 1 | 43 | 165.216 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303-3-O | Muscarinic Acetylcholine Receptor (cluster #3 Of 7), Other | Other | 3290 | 0.64 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 3290 | 0.64 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.