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)
|
4.78 |
10.17 |
-39.05 |
1 |
5 |
-1 |
87 |
367.506 |
15 |
↓
|
Hi
High (pH 8-9.5)
|
4.78 |
10.41 |
-42.44 |
1 |
5 |
-1 |
87 |
367.506 |
15 |
↓
|
Mid
Mid (pH 6-8)
|
4.89 |
9.38 |
-10.88 |
2 |
5 |
0 |
84 |
368.514 |
16 |
↓
|
Mid
Mid (pH 6-8)
|
7.10 |
8.81 |
-120.41 |
1 |
5 |
-2 |
97 |
366.498 |
16 |
↓
|
Mid
Mid (pH 6-8)
|
7.10 |
8.05 |
-40.51 |
2 |
5 |
-1 |
94 |
367.506 |
16 |
↓
|
Lo
Low (pH 4.5-6)
|
4.20 |
11.14 |
-10.62 |
1 |
5 |
0 |
81 |
368.514 |
16 |
↓
|
Lo
Low (pH 4.5-6)
|
4.20 |
10.77 |
-11.18 |
1 |
5 |
0 |
81 |
368.514 |
16 |
↓
|
Lo
Low (pH 4.5-6)
|
4.20 |
10.76 |
-9.48 |
1 |
5 |
0 |
81 |
368.514 |
16 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
MPIP2-2-E |
Dual Specificity Phosphatase Cdc25B (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
5100 |
0.28 |
Binding ≤ 10μM
|
PTN1-3-E |
Protein-tyrosine Phosphatase 1B (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
4700 |
0.29 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Cyclin A/B1 associated events during G2/M transition |
|
Cyclin B2 mediated events |
|
Growth hormone receptor signaling |
|
Integrin alphaIIb beta3 signaling |
|
Regulation of HSF1-mediated heat shock response |
|
Regulation of IFNA signaling |
|
Regulation of IFNG signaling |
|
Regulation of the Fanconi anemia pathway |
|
No pre-computed analogs available. Try a structural similarity search.