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)
|
-0.54 |
-0.47 |
-16.99 |
2 |
6 |
0 |
84 |
224.216 |
2 |
↓
|
Vendor Notes
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 |
500 |
0.55 |
Binding ≤ 10μM
|
Z50607-1-O |
Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other |
Other |
651 |
0.54 |
Functional ≤ 10μM
|
Z50677-1-O |
Human Immunodeficiency Virus (cluster #1 Of 3), Other |
Other |
770 |
0.53 |
Functional ≤ 10μM
|
Z80052-1-O |
C8166 (Leukemic T-cells) (cluster #1 Of 3), Other |
Other |
80 |
0.62 |
Functional ≤ 10μM |
Z80071-1-O |
CEM-0 (T-cell Leukemia) (cluster #1 Of 2), Other |
Other |
800 |
0.53 |
Functional ≤ 10μM
|
Z80073-1-O |
CEM-c113 (cluster #1 Of 1), Other |
Other |
80 |
0.62 |
Functional ≤ 10μM
|
Z80076-1-O |
CEM-SS (T-cell Leukemia) (cluster #1 Of 5), Other |
Other |
59 |
0.63 |
Functional ≤ 10μM |
Z80077-1-O |
CEM-TK(-) (cluster #1 Of 1), Other |
Other |
10000 |
0.44 |
Functional ≤ 10μM |
Z80295-2-O |
MT4 (Lymphocytes) (cluster #2 Of 8), Other |
Other |
770 |
0.53 |
Functional ≤ 10μM
|
Z80874-1-O |
CEM (T-cell Leukemia) (cluster #1 Of 7), Other |
Other |
270 |
0.57 |
Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.