| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 19 | No |
Popular Name: (2S,3S)-3-(benzenesulfinyl)-2-hydroxy-heptanehydroxamic (2S,3S)-3-(benzenesulfinyl)-2-hy…
| 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) | 0.85 | 1.68 | -23.47 | 3 | 5 | 0 | 87 | 285.365 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 2.92 | -51.14 | 2 | 5 | -1 | 89 | 284.357 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DEF-1-B | Peptide Deformylase (cluster #1 Of 1), Bacterial | Bacteria | 7400 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DEF_ECOLI | P0A6K3 | Peptide Deformylase, Ecoli | 7400 | 0.38 | Binding ≤ 10μM |
