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)
|
2.67 |
7.05 |
-80.03 |
3 |
9 |
0 |
105 |
487.586 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.67 |
6.77 |
-57.51 |
2 |
9 |
-1 |
103 |
486.578 |
6 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
MMP1-1-E |
Matrix Metalloproteinase-1 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1800 |
0.24 |
Binding ≤ 10μM
|
MMP3-1-E |
Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
270 |
0.28 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Activation of Matrix Metalloproteinases |
|
Assembly of collagen fibrils and other multimeric structures |
|
Basigin interactions |
|
Collagen degradation |
|
Degradation of the extracellular matrix |
|
EGFR Transactivation by Gastrin |
|
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l |
|
No pre-computed analogs available. Try a structural similarity search.