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)
|
3.94 |
14.75 |
-45.57 |
2 |
8 |
1 |
76 |
507.613 |
7 |
↓
|
|
Hi
High (pH 8-9.5)
|
3.94 |
12.47 |
-14.41 |
1 |
8 |
0 |
75 |
506.605 |
7 |
↓
|
|
Lo
Low (pH 4.5-6)
|
3.94 |
15.18 |
-71.17 |
3 |
8 |
2 |
77 |
508.621 |
7 |
↓
|
|
Lo
Low (pH 4.5-6)
|
3.94 |
15.11 |
-133.98 |
4 |
8 |
3 |
79 |
509.629 |
7 |
↓
|
|
Lo
Low (pH 4.5-6)
|
3.94 |
14.68 |
-97.41 |
3 |
8 |
2 |
77 |
508.621 |
7 |
↓
|
Vendor Notes
No pre-computed analogs available. Try a structural similarity search.
