UCSF

ZINC02742665

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 23 No

Popular Name: (5Z)-5-(2-benzoxy-5-bromo-benzylidene)-2-thioxo-thiazolidin-4-one (5Z)-5-(2-benzoxy-5-bromo-benzyl…

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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) 4.21 -2.88 -8.98 1 3 0 42 406.326 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 3000 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TP4A3_HUMAN O75365 Protein-tyrosine Phosphatase 4A3, Human 3000 0.34 Binding ≤ 10μM

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

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