Physical Representations
|
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)
|
3.68 |
5.95 |
-11.38 |
3 |
4 |
0 |
57 |
277.393 |
5 |
↓
|
|
Lo
Low (pH 4.5-6)
|
3.19 |
5.64 |
-28.77 |
3 |
4 |
1 |
59 |
278.401 |
4 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
STS-1-E |
Steryl-sulfatase Precursor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2300 |
0.42 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
STS_HUMAN |
P08842
|
Steryl-sulfatase Precursor, Human |
2300 |
0.42 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Glycosphingolipid metabolism |
|
|
The activation of arylsulfatases |
|
No pre-computed analogs available. Try a structural similarity search.
