UCSF

ZINC00390428

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 25 Yes

Popular Name: 1-Ethyl-3-piperidyl benzilate; 3-Piperidinol, 1-ethyl-, benzilate (ester); BRN 0309916; Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-ethyl-3-piperidinyl ester; Benzilic acid, 1-ethyl-3-piperidyl ester; DEA No. 7482; Ditran JB 318; EPB; EPB (VAN); LS 1-Ethyl-3-piperidyl benzilate; 3…

Find On: PubMed — Wikipedia — Google

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) 2.96 0.94 -37.03 2 4 1 50 340.443 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104303-1-O Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other Other 1 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104303 Z104303 Muscarinic Acetylcholine Receptor 1.46 0.49 Binding ≤ 1μM
Z104303 Z104303 Muscarinic Acetylcholine Receptor 1.46 0.49 Binding ≤ 10μM

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