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)
|
1.29 |
8.23 |
-14.45 |
1 |
4 |
0 |
64 |
282.295 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.70 |
9.07 |
-28.88 |
0 |
4 |
0 |
60 |
282.295 |
3 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Z80186-4-O |
K562 (Erythroleukemia Cells) (cluster #4 Of 11), Other |
Other |
1800 |
0.38 |
Functional ≤ 10μM |
Z81115-2-O |
KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other |
Other |
1800 |
0.38 |
Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.