Annotations
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-
-
-
-
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- LS-186845
- LS-187506
- LS-41596
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Vendors
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)
|
2.97 |
8.36 |
-42.72 |
2 |
5 |
1 |
54 |
362.471 |
8 |
↓
|
Hi
High (pH 8-9.5)
|
2.97 |
6.95 |
-10.83 |
1 |
5 |
0 |
49 |
361.463 |
8 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Z50425-2-O |
Plasmodium Falciparum (cluster #2 Of 22), Other |
Other |
5012 |
0.30 |
Functional ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Z50425 |
Z50425
|
Plasmodium Falciparum |
3981.07171 |
0.30 |
Functional ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.