| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | No |
Popular Name: N-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide N-hydroxy-2-(3-oxo-3,4-dihydro-2…
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CAS Numbers: 175202-81-0 , [175202-81-0]
2-(3,4-Dihydro-3-Oxo-2h-Benzo[B][1,4]Thiazin-2-Yl)-N-Hydroxyacetamide
N-Hydroxy-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide
| 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) | 0.41 | 1.19 | -15.69 | 3 | 5 | 0 | 78 | 238.268 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.41 | 2.4 | -55.94 | 2 | 5 | -1 | 81 | 237.26 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 186 - 187 | KeyOrganics |
| ALOGPS_SOLUBILITY | 6.23e-01 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DEF-1-B | Peptide Deformylase (cluster #1 Of 1), Bacterial | Bacteria | 5 | 0.73 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DEF_STAAM | P68825 | Peptide Deformylase, Staam | 5 | 0.73 | Binding ≤ 1μM |
| DEF_STAAM | P68825 | Peptide Deformylase, Staam | 5 | 0.73 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.