UCSF

ZINC01578570

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 27 Yes

Popular Name: 2-(4-cyclohexylphenyl)-6-fluoro-3-methyl-cinchoninate 2-(4-cyclohexylphenyl)-6-fluoro-…

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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) 5.54 1.27 -53.6 0 3 -1 53 362.424 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYRD-1-E Dihydroorotate Dehydrogenase (cluster #1 Of 1), Eukaryotic Eukaryotes 28 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYRD_HUMAN Q02127 Dihydroorotate Dehydrogenase, Human 28 0.39 Binding ≤ 1μM
PYRD_HUMAN Q02127 Dihydroorotate Dehydrogenase, Human 28 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pyrimidine biosynthesis

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

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