In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 29 | Yes |
Popular Name: 2-hydroxy-2,2-diphenyl-acetic-acid-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-ester 2-hydroxy-2,2-diphenyl-acetic-ac…
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) | 3.71 | 1.12 | -41.63 | 2 | 4 | 1 | 50 | 388.487 | 7 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104303-1-O | Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other | Other | 5 | 0.40 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 5.15 | 0.40 | Binding ≤ 1μM |
Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 5.15 | 0.40 | Binding ≤ 10μM |