UCSF

ZINC26148441

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 23 No

Popular Name: (2S,3R,5R,6Z)-3-(acetoxymethyl)-6-(2-amino-2-oxo-ethylidene)-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-az (2S,3R,5R,6Z)-3-(acetoxymethyl)-…

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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) -3.77 -3.26 -62.24 2 10 -1 164 345.309 5 ↓

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 8480 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BLAC_STAAU P00807 Beta-lactamase, Staau 310 0.40 Binding ≤ 1μM
BLAC_STAAU P00807 Beta-lactamase, Staau 2210 0.34 Binding ≤ 10μM

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