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)
|
4.07 |
7.46 |
-100.19 |
1 |
8 |
-2 |
113 |
476.574 |
11 |
↓
|
|
Mid
Mid (pH 6-8)
|
4.07 |
7.61 |
-17.06 |
3 |
8 |
0 |
109 |
478.59 |
11 |
↓
|
|
Mid
Mid (pH 6-8)
|
4.07 |
7.02 |
-100.83 |
1 |
8 |
-2 |
113 |
476.574 |
11 |
↓
|
|
Mid
Mid (pH 6-8)
|
4.07 |
9.03 |
-56.57 |
2 |
8 |
-1 |
111 |
477.582 |
11 |
↓
|
|
Lo
Low (pH 4.5-6)
|
4.07 |
9.21 |
-49.37 |
4 |
8 |
1 |
111 |
479.598 |
11 |
↓
|
|
Lo
Low (pH 4.5-6)
|
4.07 |
9.09 |
-43.47 |
4 |
8 |
1 |
111 |
479.598 |
11 |
↓
|
|
Lo
Low (pH 4.5-6)
|
4.07 |
7.87 |
-46.28 |
2 |
8 |
-1 |
111 |
477.582 |
11 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
TRPV1-1-E |
Vanilloid Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
6200 |
0.22 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
TRPV1_RAT |
O35433
|
Vanilloid Receptor, Rat |
6200 |
0.22 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
TRP channels |
|
No pre-computed analogs available. Try a structural similarity search.
