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)
|
5.29 |
14.31 |
-44.29 |
2 |
5 |
1 |
62 |
409.598 |
13 |
↓
|
|
Hi
High (pH 8-9.5)
|
5.29 |
11.84 |
-7.37 |
1 |
5 |
0 |
61 |
408.59 |
13 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
DYN1-2-E |
Dynamin-1 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
5000 |
0.25 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
EPH-ephrin mediated repulsion of cells |
|
|
Formation of annular gap junctions |
|
|
Gap junction degradation |
|
|
MHC class II antigen presentation |
|
|
Recycling pathway of L1 |
|
|
Retrograde neurotrophin signalling |
|
|
Toll Like Receptor 4 (TLR4) Cascade |
|
No pre-computed analogs available. Try a structural similarity search.
