| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 23rd, 2009 | 29 | No |
Popular Name: (2R,4R)-2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-4-methyl-hexanehydroxamic (2R,4R)-2-[benzyl-(4-methoxyphen…
| 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) | 3.38 | 6.12 | -21.62 | 2 | 7 | 0 | 96 | 420.531 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 7.33 | -68.11 | 1 | 7 | -1 | 99 | 419.523 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP12-1-E | Macrophage Metalloelastase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP12_MOUSE | P34960 | Matrix Metalloproteinase 12, Mouse | 4.8 | 0.40 | Binding ≤ 1μM |
| MMP12_MOUSE | P34960 | Matrix Metalloproteinase 12, Mouse | 4.8 | 0.40 | Binding ≤ 10μM |
