UCSF

ZINC03986689

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 17 No

Popular Name: CC1([C@@H](N2[C@H](S1(=O)=O)[C@@H](C2=O)CO)C(=O)O)C CC1([C@@H](N2[C@H](S1(=O)=O)[C@@…

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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) -2.91 -8.89 -53.64 1 7 -1 114 262.263 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 3900 0.45 Binding ≤ 10μM
BLAT-3-B Beta-lactamase TEM (cluster #3 Of 4), Bacterial Bacteria 8 0.67 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BLAT_ECOLX P62593 Beta-lactamase TEM, Ecolx 650 0.51 Binding ≤ 1μM
AMPC_ECOLI P00811 Beta-lactamase, Ecoli 1160 0.49 Binding ≤ 10μM
BLAT_ECOLX P62593 Beta-lactamase TEM, Ecolx 650 0.51 Binding ≤ 10μM

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