UCSF

ZINC03611786

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 19 No

Popular Name: 2-(3-chlorophenoxy)-5-nitrobenzonitrile 2-(3-chlorophenoxy)-5-nitrobenzo…

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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) 3.99 3.59 -9.13 0 5 0 78 274.663 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 4900 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50617 Z50617 Human Coxsackievirus B3 4900 0.39 Functional ≤ 10μM

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

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