UCSF

ZINC04712894

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 24 No

Popular Name: Oralith Brilliant Pink R Oralith Brilliant Pink R

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CAS Number: 2379-74-0

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) 6.45 0.54 -7.68 0 2 0 34 393.316 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPC-2-B Beta-lactamase (cluster #2 Of 6), Bacterial Bacteria 3000 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPC_ECOLI P00811 Beta-lactamase, Ecoli 3000 0.32 Binding ≤ 10μM

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