UCSF

ZINC29311776

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 17 No

Popular Name: N-methoxy-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide N-methoxy-2-[(2S)-3-oxo-4H-1,4-b…

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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) 0.69 3.37 -16.91 2 5 0 67 252.295 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DEF-1-B Peptide Deformylase (cluster #1 Of 1), Bacterial Bacteria 74 0.59 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DEF_STAAM P68825 Peptide Deformylase, Staam 74 0.59 Binding ≤ 1μM
DEF_STAAM P68825 Peptide Deformylase, Staam 74 0.59 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.