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)
|
1.20 |
3.8 |
-50.66 |
0 |
6 |
-1 |
92 |
269.302 |
7 |
↓
|
|
Mid
Mid (pH 6-8)
|
0.74 |
5.19 |
-24.07 |
1 |
6 |
0 |
89 |
270.31 |
7 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
HDAC6-1-E |
Histone Deacetylase 6 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
7200 |
0.40 |
Binding ≤ 10μM |
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
HDAC6_HUMAN |
Q9UBN7
|
Histone Deacetylase 6, Human |
7200 |
0.40 |
Binding ≤ 10μM |
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants |
|
|
Constitutive Signaling by NOTCH1 PEST Domain Mutants |
|
|
HSF1 activation |
|
|
NOTCH1 Intracellular Domain Regulates Transcription |
|
No pre-computed analogs available. Try a structural similarity search.
