UCSF

ZINC28940033

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 20 No

Popular Name: 2-(2-bromo-4-chloro-phenoxy)-5-nitro-benzonitrile 2-(2-bromo-4-chloro-phenoxy)-5-n…

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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) 4.75 9.57 -8.35 0 5 0 79 353.559 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50617-2-O Human Coxsackievirus B3 (cluster #2 Of 2), Other Other 3700 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50617 Z50617 Human Coxsackievirus B3 3700 0.38 Functional ≤ 10μM

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