UCSF

ZINC31943969

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 Yes

Popular Name: 5,6-dichloro-2-(4-methoxyphenyl)-1H-benzimidazole 5,6-dichloro-2-(4-methoxyphenyl)…

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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) 4.86 7.32 -9.45 1 3 0 38 293.153 2 ↓

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 10000 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z101843 Z101843 Human Coxsackievirus B2 10000 0.37 Functional ≤ 10μM

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

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