| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2008 | 35 | No |
Popular Name: 3-[(5E)-5-[(3,4-dibenzyloxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic 3-[(5E)-5-[(3,4-dibenzyloxypheny…
| 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) | 4.25 | 16.06 | -57.05 | 0 | 6 | -1 | 81 | 504.609 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS5-1-E | ADAMTS5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5300 | 0.21 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS5_HUMAN | Q9UNA0 | ADAMTS5, Human | 5300 | 0.21 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of the extracellular matrix | |
| O-glycosylation of TSR domain-containing proteins |
