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)
|
-1.24 |
2.24 |
-17.18 |
3 |
7 |
0 |
121 |
364.394 |
0 |
↓
|
Hi
High (pH 8-9.5)
|
-1.24 |
1.02 |
-64.58 |
2 |
7 |
-1 |
124 |
363.386 |
0 |
↓
|
Hi
High (pH 8-9.5)
|
-1.24 |
2.92 |
-60.87 |
2 |
7 |
-1 |
124 |
363.386 |
0 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Z80164-2-O |
HT-1080 (Fibrosarcoma Cells) (cluster #2 Of 6), Other |
Other |
5000 |
0.29 |
Functional ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Z80164 |
Z80164
|
HT-1080 (Fibrosarcoma Cells) |
5000 |
0.29 |
Functional ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.