UCSF

ZINC13719821

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 23 Yes

CAS Number: 155058-71-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 4.20 11.1 -40.88 1 4 1 40 338.855 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104303-2-O Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other Other 174 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104303 Z104303 Muscarinic Acetylcholine Receptor 174 0.41 Binding ≤ 1μM
Z104303 Z104303 Muscarinic Acetylcholine Receptor 174 0.41 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )