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)
|
-0.50 |
7.05 |
-77.8 |
6 |
10 |
0 |
154 |
477.569 |
9 |
↓
|
|
Mid
Mid (pH 6-8)
|
-0.50 |
7.51 |
-87.34 |
7 |
10 |
1 |
155 |
478.577 |
9 |
↓
|
|
Lo
Low (pH 4.5-6)
|
-0.50 |
8.32 |
-110.06 |
8 |
10 |
2 |
160 |
479.585 |
9 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
FA10-1-E |
Coagulation Factor X (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
26 |
0.30 |
Binding ≤ 10μM
|
|
THRB-1-E |
Prothrombin (cluster #1 Of 8), Eukaryotic |
Eukaryotes |
3 |
0.34 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Cell surface interactions at the vascular wall |
|
|
Common Pathway |
|
|
Extrinsic Pathway |
|
|
G alpha (q) signalling events |
|
|
Gamma-carboxylation of protein precursors |
|
|
Intrinsic Pathway |
|
|
Peptide ligand-binding receptors |
|
|
Platelet Aggregation (Plug Formation) |
|
|
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l |
|
|
Removal of aminoterminal propeptides from gamma-carboxylated proteins |
|
|
Thrombin signalling through proteinase activated receptors (PARs) |
|
|
Transport of gamma-carboxylated protein precursors from the endoplasmic reticulu |
|
No pre-computed analogs available. Try a structural similarity search.
