UCSF

ZINC21093230

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 24 Yes

Popular Name: 6-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine 6-ethyl-5-methyl-N-[4-(trifluoro…

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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) 4.21 10.37 -14.67 1 6 0 64 337.305 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q54A96-1-E Dihydroorotate Dehydrogenase (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q54A96_PLAFA Q54A96 Dihydroorotate Dehydrogenase, Plafa 3200 0.32 Binding ≤ 10μM

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

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