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)
|
2.98 |
10.9 |
-49.65 |
4 |
8 |
-1 |
133 |
422.509 |
11 |
↓
|
Hi
High (pH 8-9.5)
|
2.98 |
10.63 |
-104.55 |
3 |
8 |
-2 |
135 |
421.501 |
11 |
↓
|
Lo
Low (pH 4.5-6)
|
2.98 |
11.22 |
-66.21 |
5 |
8 |
0 |
134 |
423.517 |
11 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
THAS-1-E |
Thromboxane-A Synthase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
200 |
0.30 |
Binding ≤ 10μM
|
TA2R-1-E |
Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
610 |
0.28 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Eicosanoids |
|
G alpha (12/13) signalling events |
|
G alpha (q) signalling events |
|
Prostanoid ligand receptors |
|
Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
|
Thromboxane signalling through TP receptor |
|
No pre-computed analogs available. Try a structural similarity search.