UCSF

ZINC01841595

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 18 Yes

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) 3.05 0.99 -48.58 0 3 -1 45 238.266 3

Vendor Notes

Note Type Comments Provided By
MP 168 - 170 Enamine Building Blocks
MP 168...170 Enamine Building Blocks
MP 169-170° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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 9400 0.39 Binding ≤ 10μM
FABPH-2-E Fatty Acid Binding Protein Muscle (cluster #2 Of 3), Eukaryotic Eukaryotes 5700 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FABP4_HUMAN P15090 Fatty Acid Binding Protein Adipocyte, Human 9400 0.39 Binding ≤ 10μM
FABPH_HUMAN P05413 Fatty Acid Binding Protein Muscle, Human 5700 0.41 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% )