UCSF

ZINC09188397

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 21 No

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

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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) 3.69 -0.14 -9.23 0 2 0 22 311.431 2 ↓

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 5500 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ARY2_MOUSE P50295 Arylamine N-acetyltransferase 2, Mouse 5500 0.35 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.