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)
|
4.84 |
14.92 |
-48.72 |
1 |
3 |
0 |
45 |
414.343 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
4.84 |
12.7 |
-47.25 |
0 |
3 |
-1 |
43 |
413.335 |
6 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SC6A1-1-E |
GABA Transporter 1 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
200 |
0.36 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Na+/Cl- dependent neurotransmitter transporters |
|
Reuptake of GABA |
|
No pre-computed analogs available. Try a structural similarity search.