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)
|
3.16 |
11.28 |
-13.75 |
2 |
6 |
0 |
70 |
359.433 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.16 |
10.85 |
-34.08 |
3 |
6 |
1 |
71 |
360.441 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.16 |
11.62 |
-38.68 |
3 |
6 |
1 |
71 |
360.441 |
4 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SCN9A-1-E |
Sodium Channel Protein Type IX Alpha Subunit (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2500 |
0.29 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
SCN9A_HUMAN |
Q15858
|
Sodium Channel Protein Type IX Alpha Subunit, Human |
2500 |
0.29 |
Binding ≤ 10μM |
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Interaction between L1 and Ankyrins |
|
No pre-computed analogs available. Try a structural similarity search.