UCSF

ZINC13661921

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 24 No

Popular Name: (5Z)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-3-(4-hydroxyphenyl)-2-thioxo-thiazolidin-4-one (5Z)-5-[(4-hydroxy-3-methoxy-phe…

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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 4.74 -13.38 2 5 0 72 359.428 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% )