UCSF

ZINC28361191

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 25 Yes

Popular Name: N-(2-fluorophenyl)-2-(2-pyridyl)-1H-benzimidazole-4-carboxamide N-(2-fluorophenyl)-2-(2-pyridyl)…

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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) 3.36 7.41 -19.95 2 5 0 71 332.338 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50617-1-O Human Coxsackievirus B3 (cluster #1 Of 2), Other Other 1630 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50617 Z50617 Human Coxsackievirus B3 1630 0.32 Functional ≤ 10μM

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

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