| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 22 | Yes |
Popular Name: Tropine2-(phenylthio)butanoateoxalatesalt Tropine2-(phenylthio)butanoateox…
Find On: PubMed — Wikipedia — Google
CAS Number: 155059-55-5
| 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) | 3.90 | 11.86 | -40.31 | 1 | 3 | 1 | 31 | 320.478 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303-2-O | Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other | Other | 23 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 22.7 | 0.49 | Binding ≤ 1μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 22.7 | 0.49 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.