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)
|
2.25 |
2.84 |
-57.58 |
5 |
6 |
1 |
102 |
381.481 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.25 |
3.81 |
-55.52 |
5 |
6 |
1 |
105 |
381.481 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.25 |
4.19 |
-142.74 |
6 |
6 |
2 |
107 |
382.489 |
6 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
5HT6R-2-E |
Serotonin 6 (5-HT6) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
12 |
0.41 |
Binding ≤ 10μM
|
5HT6R-1-E |
5-hydroxytryptamine Receptor 6 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
156 |
0.35 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
G alpha (s) signalling events |
|
Serotonin receptors |
|
No pre-computed analogs available. Try a structural similarity search.