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)
|
4.76 |
8.67 |
-8.77 |
1 |
2 |
0 |
33 |
307.368 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
4.76 |
9.44 |
-48.71 |
0 |
2 |
-1 |
36 |
306.36 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
4.76 |
9.13 |
-39.07 |
2 |
2 |
1 |
34 |
308.376 |
4 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CP17A-1-E |
Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
343 |
0.39 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Androgen biosynthesis |
|
Endogenous sterols |
|
Glucocorticoid biosynthesis |
|
No pre-computed analogs available. Try a structural similarity search.