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)
|
3.04 |
6.6 |
-21.93 |
2 |
6 |
0 |
72 |
402.195 |
5 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
MP2K1-1-E |
Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
33 |
0.44 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
ERK1 activation |
|
Interleukin-1 signaling |
|
MEK activation |
|
RAF phosphorylates MEK |
|
Signal transduction by L1 |
|
Signaling by FGFR |
|
Uptake and function of anthrax toxins |
|
No pre-computed analogs available. Try a structural similarity search.