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)
|
2.87 |
7.55 |
-24.29 |
1 |
5 |
0 |
67 |
323.377 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
2.87 |
7.82 |
-68.96 |
2 |
5 |
1 |
68 |
324.385 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
GYRA-1-B |
DNA Gyrase Subunit A (cluster #1 Of 1), Bacterial |
Bacteria |
400 |
0.39 |
Binding ≤ 10μM
|
GYRB-1-B |
DNA Gyrase Subunit B (cluster #1 Of 1), Bacterial |
Bacteria |
400 |
0.39 |
Binding ≤ 10μM
|
PARC-1-B |
Topoisomerase IV Subunit A (cluster #1 Of 1), Bacterial |
Bacteria |
8100 |
0.31 |
Binding ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.