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)
|
-0.87 |
1.91 |
-58.21 |
6 |
10 |
1 |
152 |
405.479 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
-0.87 |
1.51 |
-26.66 |
5 |
10 |
0 |
150 |
404.471 |
8 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q9R297-1-E |
Thyrotropin-releasing Hormone Receptor 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
24 |
0.37 |
Binding ≤ 10μM
|
TRFR-1-E |
Thyrotropin-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
320 |
0.31 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
G alpha (q) signalling events |
|
No pre-computed analogs available. Try a structural similarity search.