UCSF

ZINC00100791

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 17 No

Popular Name: 2-{[2-(3,5-dichloroanilino)-2-oxoethyl]thio}acetic acid 2-{[2-(3,5-dichloroanilino)-2-ox…

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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) 2.17 -1.17 -52.45 1 4 -1 69 293.151 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-1-E Fatty Acid Binding Protein Adipocyte (cluster #1 Of 3), Eukaryotic Eukaryotes 1000 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 1000 0.49 Binding ≤ 1μM
FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 1000 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis
Transcriptional regulation of white adipocyte differentiation

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

No pre-computed analogs available. Try a structural similarity search.