UCSF

ZINC12339022

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2008 16 No

Popular Name: 5-(5-bromo-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolan-4-one 5-(5-bromo-2-hydroxybenzylidene)…

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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) 2.55 -5.03 -8.81 2 3 0 53 316.201 1 ↓

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 9500 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TP4A3_HUMAN O75365 Protein-tyrosine Phosphatase 4A3, Human 9500 0.44 Binding ≤ 10μM

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

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