UCSF

ZINC28100290

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 18 No

Popular Name: (2S,5R,6S)-6-(1-hydroxyethyl)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-ca (2S,5R,6S)-6-(1-hydroxyethyl)-3,…

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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) -2.55 -3.24 -55.99 1 7 -1 115 276.29 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPC-5-B Beta-lactamase (cluster #5 Of 6), Bacterial Bacteria 1600 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPC_ECOLI P00811 Beta-lactamase, Ecoli 1600 0.45 Binding ≤ 10μM

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