| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 30 | No |
Popular Name: N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dichloro-phenyl]-3,5-dichloro-2-hydroxy-benzamide N-[4-(1,3-benzothiazol-2-ylsulfa…
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| 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) | 8.24 | 11.57 | -49.18 | 1 | 4 | -1 | 65 | 515.25 | 4 | ↓ |
| Mid Mid (pH 6-8) | 8.24 | 10.7 | -17.35 | 2 | 4 | 0 | 62 | 516.258 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATD-1-E | Cathepsin D (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1300 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATD_HUMAN | P07339 | Cathepsin D, Human | 1300 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Collagen degradation | |
| Metabolism of Angiotensinogen to Angiotensins | |
| MHC class II antigen presentation |
