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)
|
3.05 |
7.95 |
-7.8 |
1 |
2 |
0 |
37 |
270.372 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
GCR-2-E |
Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
2100 |
0.40 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
GCR_HUMAN |
P04150
|
Glucocorticoid Receptor, Human |
2100 |
0.40 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
BMAL1:CLOCK,NPAS2 activates circadian gene expression |
|
Rings
-
Benzene
-
Cyclohex-2-en-1-one
-
Methylenecyclohexane
-
4,4a,5,6,7,8-hexahydro-3H-naphth…
-
5-benzyl-4,4a,5,6,7,8-hexahydro-…
No pre-computed analogs available. Try a structural similarity search.