UCSF

ZINC33424013

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 28 No

Popular Name: (5Z)-5-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-3-(4-nitrophenyl)-2-thioxo-thiazolidin-4-one (5Z)-5-[(4-hydroxy-3,5-dimethoxy…

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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) 2.48 8.31 -14.54 1 8 0 107 418.452 5 ↓
Hi High (pH 8-9.5) 2.48 9.21 -48.35 0 8 -1 109 417.444 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9AQH7-1-B DnaC Helicase (cluster #1 Of 1), Bacterial Bacteria 700 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9AQH7_STAAU Q9AQH7 DnaC Helicase, Staau 700 0.31 Binding ≤ 1μM
Q9AQH7_STAAU Q9AQH7 DnaC Helicase, Staau 700 0.31 Binding ≤ 10μM

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