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)
|
-2.76 |
-8.36 |
-139.92 |
3 |
11 |
-2 |
176 |
322.166 |
4 |
↓
|
Vendor Notes
Note Type |
Comments |
Provided By |
Reactome Database Links |
REACT_1172; REACT_1389 |
ChEBI |
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
RNAS1-1-E |
Ribonuclease Pancreatic (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
7100 |
0.34 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
RNAS1_BOVIN |
P61823
|
Ribonuclease Pancreatic, Bovin |
7100 |
0.34 |
Binding ≤ 10μM
|
Direct Reactome Annotations (via ChEBI)
Description |
Species |
Pyrimidine catabolism |
|
No pre-computed analogs available. Try a structural similarity search.