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)
|
0.75 |
-0.12 |
-11.55 |
2 |
4 |
0 |
69 |
173.193 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CAH1-8-E |
Carbonic Anhydrase I (cluster #8 Of 12), Eukaryotic |
Eukaryotes |
2 |
1.11 |
Binding ≤ 10μM
|
CAH2-10-E |
Carbonic Anhydrase II (cluster #10 Of 15), Eukaryotic |
Eukaryotes |
36 |
0.95 |
Binding ≤ 10μM
|
CAH9-6-E |
Carbonic Anhydrase IX (cluster #6 Of 11), Eukaryotic |
Eukaryotes |
63 |
0.92 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Erythrocytes take up carbon dioxide and release oxygen |
|
Erythrocytes take up oxygen and release carbon dioxide |
|
Regulation of gene expression by Hypoxia-inducible Factor |
|
Reversible hydration of carbon dioxide |
|
No pre-computed analogs available. Try a structural similarity search.