| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 26 | No |
Popular Name: C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OS(=O)(=O)N)OC C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H…
None
| 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) | 2.51 | -6.98 | -15.45 | 3 | 6 | 0 | 98 | 381.494 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| STS-1-E | Steryl-sulfatase Precursor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 34 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| STS_HUMAN | P08842 | Steryl-sulfatase Precursor, Human | 16 | 0.42 | Binding ≤ 1μM |
| STS_HUMAN | P08842 | Steryl-sulfatase Precursor, Human | 16 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism | |
| The activation of arylsulfatases |
