UCSF

ZINC53298540

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 36 Yes

Popular Name: N2-methyl-N4-[4-(trifluoromethoxy)phenyl]-N6-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]pyrimidine- N2-methyl-N4-[4-(trifluoromethox…

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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) 6.76 16.19 -34.18 4 8 1 90 510.422 9 ↓
Mid Mid (pH 6-8) 6.76 16.85 -90.04 5 8 2 91 511.43 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 54 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 54 0.28 Functional ≤ 10μM

Rings

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

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