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)
|
5.13 |
14.09 |
-49.51 |
2 |
4 |
1 |
40 |
463.045 |
9 |
↓
|
Hi
High (pH 8-9.5)
|
5.13 |
12.74 |
-10.1 |
1 |
4 |
0 |
36 |
462.037 |
9 |
↓
|
Lo
Low (pH 4.5-6)
|
5.13 |
15.88 |
-106.08 |
3 |
4 |
2 |
41 |
464.053 |
9 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAC1G-1-E |
Voltage-gated T-type Calcium Channel Alpha-1G Subunit (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1670 |
0.25 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAC1G_HUMAN |
O43497
|
Voltage-gated T-type Calcium Channel Alpha-1G Subunit, Human |
1670 |
0.25 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
NCAM1 interactions |
|
No pre-computed analogs available. Try a structural similarity search.