UCSF

ZINC26166919

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 24 No

Popular Name: (2S,3R,5S,6Z)-3-[(2-chloroacetyl)oxymethyl]-6-(2-hydroxy-2-oxo-ethylidene)-3-methyl-4,4,7-trioxo-4$l (2S,3R,5S,6Z)-3-[(2-chloroacetyl…

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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) -2.86 1.03 -98.45 0 10 -2 161 379.73 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BLAC-1-B Beta-lactamase (cluster #1 Of 1), Bacterial Bacteria 7200 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BLAC_STAAU P00807 Beta-lactamase, Staau 196 0.39 Binding ≤ 1μM
BLAC_STAAU P00807 Beta-lactamase, Staau 196 0.39 Binding ≤ 10μM

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