UCSF

ZINC00012238

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

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) 2.21 8.25 -35.98 1 4 1 34 251.35 3
Hi High (pH 8-9.5) 2.21 5.69 -10.37 0 4 0 33 250.342 3

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 940 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104303 Z104303 Muscarinic Acetylcholine Receptor 100 0.54 Binding ≤ 1μM
Z104303 Z104303 Muscarinic Acetylcholine Receptor 100 0.54 Binding ≤ 10μM

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