UCSF

ZINC01446433

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 13 No

Popular Name: Ammonium, (2-phenoxyethyl)trimethyl-, bromide; LS-18846; Phenoxyethyltrimethylammonium bromide; Phenylcholine ether bromide; Trimethyl(2-phenoxyethyl)ammonium bromide Ammonium, (2-phenoxyethyl)trimet…

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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) -1.95 3.81 -31.73 0 2 1 9 180.271 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACHA7-2-E Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic Eukaryotes 1100 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACHA7_RAT Q05941 Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat 1100 0.64 Binding ≤ 10μM

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