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)
|
0.94 |
2.98 |
-23.59 |
2 |
9 |
0 |
115 |
375.429 |
5 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
DNK-1-E |
Deoxynucleoside Kinase (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3000 |
0.29 |
Binding ≤ 10μM
|
KITM-1-E |
Thymidine Kinase, Mitochondrial (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
150 |
0.35 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
E2F mediated regulation of DNA replication |
|
G1/S-Specific Transcription |
|
Pyrimidine salvage reactions |
|
No pre-computed analogs available. Try a structural similarity search.