UCSF

ZINC01199540

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 20 No

Popular Name: 5-[(4-phenylphenyl)methylene]-2-thioxo-thiazolidin-4-one 5-[(4-phenylphenyl)methylene]-2-…

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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) 3.62 -1.84 -9.41 1 2 0 32 297.404 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ARY1-1-E Arylamine N-acetyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8100 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ARY1_HUMAN P18440 Arylamine N-acetyltransferase 1, Human 8100 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylation

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

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