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)
|
3.20 |
5.58 |
-10.49 |
1 |
6 |
0 |
91 |
267.244 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
3.65 |
4.09 |
-40.16 |
0 |
6 |
-1 |
94 |
266.236 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
3.65 |
3.6 |
-42.65 |
0 |
6 |
-1 |
94 |
266.236 |
2 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
TTHY-1-E |
Transthyretin (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
2800 |
0.39 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Amyloids |
|
|
Non-integrin membrane-ECM interactions |
|
|
Retinoid cycle disease events |
|
|
Retinoid metabolism and transport |
|
|
The canonical retinoid cycle in rods (twilight vision) |
|
No pre-computed analogs available. Try a structural similarity search.
