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)
|
3.69 |
14.03 |
-34.9 |
1 |
5 |
1 |
27 |
430.62 |
7 |
↓
|
|
Hi
High (pH 8-9.5)
|
3.69 |
11.48 |
-3.36 |
0 |
5 |
0 |
26 |
429.612 |
7 |
↓
|
|
Mid
Mid (pH 6-8)
|
3.69 |
12.82 |
-36.75 |
1 |
5 |
1 |
27 |
430.62 |
7 |
↓
|
|
Lo
Low (pH 4.5-6)
|
3.69 |
14.49 |
-102.39 |
2 |
5 |
2 |
28 |
431.628 |
7 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
SHH-1-E |
Sonic Hedgehog Protein (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
5000 |
0.23 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
SHH_MOUSE |
Q62226
|
Sonic Hedgehog Protein, Mouse |
5000 |
0.23 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Class B/2 (Secretin family receptors) |
|
|
Hedgehog ligand biogenesis |
|
|
Hh ligand biogenesis disease |
|
|
Release of Hh-Np from the secreting cell |
|
No pre-computed analogs available. Try a structural similarity search.
