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)
|
4.35 |
10.74 |
-32.26 |
2 |
2 |
1 |
26 |
263.364 |
5 |
↓
|
|
Mid
Mid (pH 6-8)
|
4.35 |
10.38 |
-7.7 |
1 |
2 |
0 |
25 |
262.356 |
5 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
SCYD-1-F |
Scytalone Dehydratase (cluster #1 Of 1), Fungal |
Fungi |
6700 |
0.36 |
Binding ≤ 10μM |
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
SCYD_MAGO7 |
P56221
|
Scytalone Dehydratase, Mago7 |
2300 |
0.39 |
Binding ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.
