UCSF

ZINC40951520

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 22 No

Popular Name: 2-(4-amino-3-nitro-phenoxy)-5-nitro-benzonitrile 2-(4-amino-3-nitro-phenoxy)-5-ni…

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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) 2.70 7.23 -13.93 2 9 0 151 300.23 4 ↓

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 10000 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50617 Z50617 Human Coxsackievirus B3 10000 0.32 Functional ≤ 10μM

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