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)
|
-4.71 |
-8.49 |
-534.02 |
4 |
15 |
-5 |
275 |
415.053 |
6 |
↓
|
|
Mid
Mid (pH 6-8)
|
-4.71 |
-7.35 |
-718.88 |
3 |
15 |
-6 |
278 |
414.045 |
6 |
↓
|
|
Mid
Mid (pH 6-8)
|
-4.71 |
-8.49 |
-504.9 |
4 |
15 |
-5 |
275 |
415.053 |
6 |
↓
|
|
Lo
Low (pH 4.5-6)
|
-4.71 |
-9.64 |
-348.58 |
5 |
15 |
-4 |
272 |
416.061 |
6 |
↓
|
|
Lo
Low (pH 4.5-6)
|
-4.71 |
-10.78 |
-211.72 |
6 |
15 |
-3 |
269 |
417.069 |
6 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Purity |
>98% |
Fluorochem |
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
ITPR3-1-E |
Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6 |
0.48 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge |
|
|
Ca2+ pathway |
|
|
DAG and IP3 signaling |
|
|
Effects of PIP2 hydrolysis |
|
|
Elevation of cytosolic Ca2+ levels |
|
|
FCERI mediated Ca+2 mobilization |
|
|
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion |
|
|
PLC beta mediated events |
|
|
Regulation of insulin secretion |
|
|
Role of phospholipids in phagocytosis |
|
|
VEGFR2 mediated cell proliferation |
|
No pre-computed analogs available. Try a structural similarity search.
