| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | Yes |
Popular Name: 3-Quinuclidinecarboxylic acid methyl ester hydrochloride 3-Quinuclidinecarboxylic acid me…
Find On: PubMed — Wikipedia — Google
CAS Number: 54954-73-3
Methyl 3-quinuclidinecarboxylate hydrochloride
Methyl 3-quinuclidinecarboxylate hydrochloride, 98+%
| 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) | 1.21 | 5.26 | -38.71 | 1 | 3 | 1 | 31 | 170.232 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | ca 160? dec. | Alfa-Aesar |
| Melting_Point | ca 160° dec. | Alfa-Aesar |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303-2-O | Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other | Other | 520 | 0.73 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 520 | 0.73 | Binding ≤ 1μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 520 | 0.73 | Binding ≤ 10μM |
