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)
|
4.88 |
16.55 |
-28.49 |
2 |
9 |
0 |
111 |
605.098 |
8 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAC1D-1-E |
Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
6800 |
0.16 |
Binding ≤ 10μM
|
PTAFR-2-E |
Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
5 |
0.26 |
Binding ≤ 10μM |
PTAFR-1-E |
Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
7 |
0.26 |
Functional ≤ 10μM
|
Z50588-2-O |
Canis Familiaris (cluster #2 Of 7), Other |
Other |
6600 |
0.16 |
Functional ≤ 10μM
|
Z50592-3-O |
Oryctolagus Cuniculus (cluster #3 Of 8), Other |
Other |
29 |
0.24 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Adrenaline,noradrenaline inhibits insulin secretion |
|
Class A/1 (Rhodopsin-like receptors) |
|
G alpha (q) signalling events |
|
Interferon gamma signaling |
|
NCAM1 interactions |
|
Regulation of insulin secretion |
|
No pre-computed analogs available. Try a structural similarity search.