UCSF

ZINC01712041

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 No

Popular Name: 3-benzyl-1,1-diketo-1,3-thiazolidin-2-one 3-benzyl-1,1-diketo-1,3-thiazoli…

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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) 0.87 2.2 -22.9 0 4 0 54 225.269 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABH-1-B Beta-ketoacyl-ACP Synthase III (cluster #1 Of 2), Bacterial Bacteria 1100 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FABH_ECOLI P0A6R0 3-oxoacyl-[acyl-carrier-protein] Synthase 3, Ecoli 1100 0.56 Binding ≤ 10μM

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

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