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)
|
2.27 |
3.64 |
-49.42 |
4 |
7 |
1 |
98 |
389.483 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.27 |
2.45 |
-17.34 |
3 |
7 |
0 |
97 |
388.475 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.27 |
3.72 |
-102.43 |
5 |
7 |
2 |
100 |
390.491 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
2.27 |
4.71 |
-179.29 |
6 |
7 |
3 |
101 |
391.499 |
6 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Z50607-1-O |
Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other |
Other |
2830 |
0.27 |
Functional ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Z50607 |
Z50607
|
Human Immunodeficiency Virus 1 |
2830 |
0.27 |
Functional ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.