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)
|
4.96 |
10.45 |
-7.13 |
0 |
1 |
0 |
13 |
255.32 |
1 |
↓
|
|
Lo
Low (pH 4.5-6)
|
4.96 |
10.74 |
-37.07 |
1 |
1 |
1 |
14 |
256.328 |
1 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
C11B1-2-E |
Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
7553 |
0.36 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Endogenous sterols |
|
|
Glucocorticoid biosynthesis |
|
|
Mineralocorticoid biosynthesis |
|
No pre-computed analogs available. Try a structural similarity search.
