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)
|
2.64 |
0.97 |
-14.49 |
1 |
4 |
0 |
51 |
255.273 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ABCG2-1-E |
ATP-binding Cassette Sub-family G Member 2 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
7900 |
0.38 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ABCG2_HUMAN |
Q9UNQ0
|
ATP-binding Cassette Sub-family G Member 2, Human |
7900 |
0.38 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Abacavir transmembrane transport |
|
Iron uptake and transport |
|
No pre-computed analogs available. Try a structural similarity search.