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)
|
3.49 |
10.46 |
-43.8 |
0 |
7 |
-1 |
100 |
421.863 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.49 |
9.46 |
-12.69 |
1 |
7 |
0 |
97 |
422.871 |
4 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
PTN1-1-E |
Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
4100 |
0.28 |
Binding ≤ 10μM
|
PTN2-1-E |
T-cell Protein-tyrosine Phosphatase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
5300 |
0.27 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Growth hormone receptor signaling |
|
Integrin alphaIIb beta3 signaling |
|
Regulation of IFNA signaling |
|
Regulation of IFNG signaling |
|
No pre-computed analogs available. Try a structural similarity search.