UCSF

ZINC00973805

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 19 No

Popular Name: (5Z)-5-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-2-thioxo-thiazolidin-4-one (5Z)-5-[(E)-3-(4-dimethylaminoph…

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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) 2.68 -2.11 -10.37 1 3 0 36 290.413 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPC-1-B Beta-lactamase (cluster #1 Of 6), Bacterial Bacteria 8000 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPC_ENTCL P05364 Beta-lactamase, Entcl 8000 0.38 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.