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)
|
4.29 |
-4.3 |
-19.63 |
1 |
4 |
0 |
115 |
528.201 |
8 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
DHB1-1-E |
Estradiol 17-beta-dehydrogenase 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5700 |
0.25 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
DHB1_HUMAN |
P14061
|
Estradiol 17-beta-dehydrogenase 1, Human |
5700 |
0.25 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Estrogen biosynthesis |
|
The canonical retinoid cycle in rods (twilight vision) |
|
No pre-computed analogs available. Try a structural similarity search.