UCSF

ZINC28370627

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 20 Yes

Popular Name: 2-(4-Chloro-benzylamino)-6-trifluoromethyl-pyrimidin-4-ol 2-(4-Chloro-benzylamino)-6-trifl…

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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) 3.49 6 -14.6 2 4 0 58 303.671 4 ↓
Mid Mid (pH 6-8) 3.95 5.09 -39.28 1 4 -1 61 302.663 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 2900 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 2900 0.39 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.