| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 28 | Yes |
Popular Name: 4,4'-Bis(trimethylacetoxy)benzophenone 4,4'-Bis(trimethylacetoxy)benzop…
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CAS Number: 112004-83-8
| 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) | 5.48 | 14.18 | -12.64 | 0 | 5 | 0 | 70 | 382.456 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE-1-E | Neutrophil Elastase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 120 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 120 | 0.35 | Binding ≤ 1μM |
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 120 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Collagen degradation | |
| Degradation of the extracellular matrix |
