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)
|
4.24 |
10.74 |
-42.73 |
1 |
3 |
1 |
21 |
302.401 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
4.24 |
8.26 |
-9.33 |
0 |
3 |
0 |
19 |
301.393 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
4.24 |
8.53 |
-28.55 |
1 |
3 |
1 |
21 |
302.401 |
1 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
5HT1B-1-E |
Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
640 |
0.38 |
Binding ≤ 10μM
|
5HT3A-2-E |
Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
2 |
0.53 |
Binding ≤ 10μM
|
5HT3B-1-E |
Serotonin 3b (5-HT3b) Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
2 |
0.53 |
Binding ≤ 10μM
|
SC6A4-2-E |
Serotonin Transporter (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
1600 |
0.35 |
Binding ≤ 10μM
|
Z80334-1-O |
NG108-15 (Neuroblastoma-glioma Hybrid Cells) (cluster #1 Of 1), Other |
Other |
12 |
0.48 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
G alpha (i) signalling events |
|
Serotonin receptors |
|
No pre-computed analogs available. Try a structural similarity search.