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)
|
4.02 |
-3.67 |
-18.11 |
3 |
4 |
0 |
53 |
375.295 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
4.02 |
-3.62 |
-34.43 |
4 |
4 |
1 |
54 |
376.303 |
6 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q72547-1-V |
Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral |
Viruses |
900 |
0.38 |
Binding ≤ 10μM
|
Z80420-2-O |
RBL-2H3 (Basophilic Leukemia Cells) (cluster #2 Of 2), Other |
Other |
6100 |
0.33 |
Functional ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.