UCSF

ZINC13521688

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 No

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

Find On: PubMed — Wikipedia — Google

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) -0.58 2.63 -56.78 0 7 -1 104 356.42 3 ↓

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 3200 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPC_ENTCL P05364 Beta-lactamase, Entcl 1700 0.34 Binding ≤ 10μM

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