UCSF

ZINC03905768

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 25 No

Popular Name: 2-(ethylsulfanyl)ethyl 4-{4-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 2-(ethylsulfanyl)ethyl 4-{4-nitr…

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Other Names:

MFCD00375635

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) 2.85 -0.58 -12.62 2 8 0 113 365.411 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S27A4-1-E Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 1200 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
S27A4_HUMAN Q6P1M0 Fatty Acid Transport Protein 4, Human 1200 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Transport of fatty acids

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