| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 29 | Yes |
Popular Name: N-(4-benzothiazol-2-ylsulfanyl-3-chloro-phenyl)-3,5-dichloro-2-hydroxy-benzamide N-(4-benzothiazol-2-ylsulfanyl-3…
| 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) | 7.66 | -3.32 | -16.19 | 2 | 4 | 0 | 62 | 481.813 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATD-1-E | Cathepsin D (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1800 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATD_HUMAN | P07339 | Cathepsin D, Human | 1800 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Collagen degradation | |
| Metabolism of Angiotensinogen to Angiotensins | |
| MHC class II antigen presentation |
