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)
|
5.36 |
13.03 |
-11.65 |
0 |
4 |
0 |
63 |
325.408 |
5 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Z80390-8-O |
PC-3 (Prostate Carcinoma Cells) (cluster #8 Of 10), Other |
Other |
10000 |
0.29 |
Functional ≤ 10μM
|
Z81170-2-O |
LNCaP (Prostate Carcinoma) (cluster #2 Of 5), Other |
Other |
2700 |
0.32 |
Functional ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.