UCSF

ZINC00390424

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 24 Yes

Popular Name: 1-Methyl-3-piperidyl benzilate; BRN 0299160; Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-methyl-3-piperidinyl ester; Benzilic acid, 1-methyl-3-piperidyl ester; DEA No. 7484; EINECS 222-033-1; JB 336; LS-32506; N-Methyl-3-piperidyl benzilate; alpha- 1-Methyl-3-piperidyl benzilate; …

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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) 2.59 0.97 -36.34 2 4 1 50 326.416 5 ↓

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 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104303 Z104303 Muscarinic Acetylcholine Receptor 1.11 0.52 Binding ≤ 1μM
Z104303 Z104303 Muscarinic Acetylcholine Receptor 1.11 0.52 Binding ≤ 10μM

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