UCSF

ZINC04033902

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 20 Yes

Popular Name: N-[4-(1H-benzoimidazol-2-yl)phenyl]propanamide N-[4-(1H-benzoimidazol-2-yl)phen…

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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) 3.60 -1.56 -16.29 2 4 0 57 265.316 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101843-1-O Human Coxsackievirus B2 (cluster #1 Of 3), Other Other 9000 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z101843 Z101843 Human Coxsackievirus B2 9000 0.35 Functional ≤ 10μM

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

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