UCSF

ZINC34236292

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 21 Yes

Popular Name: 2-(4-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazole 2-(4-methoxyphenyl)-6-(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) 4.47 7.35 -8.64 1 3 0 38 292.26 3 ↓
Lo Low (pH 4.5-6) 4.47 7.77 -32.1 2 3 1 39 293.268 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100497-1-O Bovine Viral Diarrhea Virus (cluster #1 Of 3), Other Other 1000 0.40 Functional ≤ 10μM
Z101843-1-O Human Coxsackievirus B2 (cluster #1 Of 3), Other Other 7000 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100497 Z100497 Bovine Viral Diarrhea Virus 1000 0.40 Functional ≤ 10μM
Z101843 Z101843 Human Coxsackievirus B2 7000 0.34 Functional ≤ 10μM

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

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