UCSF

ZINC12524354

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 24 No

Popular Name: (5Z)-5-[(4-dimethylaminophenyl)methylene]-3-(4-hydroxyphenyl)-2-thioxo-thiazolidin-4-one (5Z)-5-[(4-dimethylaminophenyl)m…

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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) 2.79 7.8 -12.55 1 4 0 45 356.472 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q965D5-1-E Enoyl-acyl-carrier Protein Reductase (cluster #1 Of 1), Eukaryotic Eukaryotes 870 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q965D5_PLAFA Q965D5 Enoyl-acyl-carrier Protein Reductase, Plafa 870 0.35 Binding ≤ 1μM
Q965D5_PLAFA Q965D5 Enoyl-acyl-carrier Protein Reductase, Plafa 870 0.35 Binding ≤ 10μM

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