UCSF

ZINC01251594

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 16 No

Popular Name: 5-[(3-fluorophenyl)methylene]-3-methyl-2-thioxo-thiazolidin-4-one 5-[(3-fluorophenyl)methylene]-3-…

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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) 2.03 0.08 -7.64 0 2 0 22 253.323 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ARY2-1-E Arylamine N-acetyltransferase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 7300 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ARY2_MOUSE P50295 Arylamine N-acetyltransferase 2, Mouse 7300 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylation

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