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)
|
3.49 |
8.11 |
-124.81 |
1 |
10 |
-2 |
161 |
509.474 |
8 |
↓
|
|
Hi
High (pH 8-9.5)
|
3.67 |
6.25 |
-233.04 |
0 |
10 |
-3 |
168 |
508.466 |
8 |
↓
|
|
Lo
Low (pH 4.5-6)
|
2.59 |
10.4 |
-50.73 |
2 |
10 |
-1 |
158 |
510.482 |
8 |
↓
|
|
Lo
Low (pH 4.5-6)
|
2.59 |
9.21 |
-53.64 |
2 |
10 |
-1 |
158 |
510.482 |
8 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
GRB7-1-E |
Growth Factor Receptor-bound Protein 7 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3060 |
0.20 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
GRB7_HUMAN |
Q14451
|
Growth Factor Receptor-bound Protein 7, Human |
3060 |
0.20 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Downstream signal transduction |
|
|
GRB7 events in ERBB2 signaling |
|
|
Signaling by SCF-KIT |
|
|
Tie2 Signaling |
|
No pre-computed analogs available. Try a structural similarity search.
