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)
|
3.28 |
7.73 |
-13.87 |
4 |
5 |
0 |
88 |
365.256 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
3.73 |
5.41 |
-56.12 |
3 |
5 |
-1 |
91 |
364.248 |
3 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
TYSY-1-E |
Thymidylate Synthase (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1100 |
0.40 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
TYSY_HUMAN |
P04818
|
Thymidylate Synthase, Human |
1100 |
0.40 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
E2F mediated regulation of DNA replication |
|
G1/S-Specific Transcription |
|
Pyrimidine biosynthesis |
|
No pre-computed analogs available. Try a structural similarity search.