UCSF

ZINC16449901

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 24 No

Popular Name: (5Z)-5-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-5-[[5-bromo-2-[(2-chlorophe…

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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) 4.84 9.71 -8.02 1 3 0 42 440.771 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TP4A3-1-E Protein-tyrosine Phosphatase 4A3 (cluster #1 Of 1), Eukaryotic Eukaryotes 2400 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TP4A3_HUMAN O75365 Protein-tyrosine Phosphatase 4A3, Human 2400 0.33 Binding ≤ 10μM

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

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