UCSF

ZINC01393715

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 16 No

Popular Name: 2-(3-Oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)ethanohydrazide 2-(3-Oxo-3,4-dihydro-2H-1,4-benz…

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CAS Numbers: 175202-65-0 , [175202-65-0]

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) -0.72 1.1 -12.45 4 5 0 84 237.284 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 200 - 201 KeyOrganics

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 330 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DEF_STAAM P68825 Peptide Deformylase, Staam 330 0.57 Binding ≤ 1μM
DEF_STAAM P68825 Peptide Deformylase, Staam 330 0.57 Binding ≤ 10μM

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