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)
|
4.27 |
10.78 |
-11.64 |
1 |
5 |
0 |
68 |
355.397 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
4.27 |
11.08 |
-37.53 |
2 |
5 |
1 |
69 |
356.405 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
4.27 |
10.97 |
-42.16 |
2 |
5 |
1 |
69 |
356.405 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
4.27 |
11.37 |
-98.35 |
3 |
5 |
2 |
70 |
357.413 |
5 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
RAF1-1-E |
Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
320 |
0.34 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
CREB phosphorylation through the activation of Ras |
|
GP1b-IX-V activation signalling |
|
MEK activation |
|
RAF activation |
|
RAF phosphorylates MEK |
|
Rap1 signalling |
|
Stimuli-sensing channels |
|
No pre-computed analogs available. Try a structural similarity search.