UCSF

ZINC00180701

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 No

Popular Name: ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate ethyl 6-methyl-4-(4-nitrophenyl)…

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CAS Number: 161374-08-9

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) 2.33 6.08 -11.33 2 8 0 113 305.29 5 ↓
Ref Reference (pH 7) 1.21 1.18 -30.97 1 8 -1 123 304.282 4 ↓

Vendor Notes

Note Type Comments Provided By
mp 208 MolMall (formerly Molecular Diversity Preservation International)

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 9500 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
S27A4_HUMAN Q6P1M0 Fatty Acid Transport Protein 4, Human 9500 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Transport of fatty acids

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