|
Analogs
Draw
Identity
99%
90%
80%
70%
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)
|
4.42 |
8.72 |
-9.47 |
0 |
4 |
0 |
43 |
367.42 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.42 |
11.57 |
-53.86 |
1 |
4 |
1 |
44 |
368.428 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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)
|
3.90 |
7.85 |
-12.44 |
0 |
6 |
0 |
61 |
409.482 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.90 |
10.7 |
-55.63 |
1 |
6 |
1 |
62 |
410.49 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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)
|
4.31 |
7.95 |
-9.67 |
0 |
5 |
0 |
52 |
379.456 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
4.31 |
10.8 |
-51.31 |
1 |
5 |
1 |
53 |
380.464 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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)
|
4.93 |
9.18 |
-8.72 |
0 |
4 |
0 |
43 |
383.875 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.93 |
12.02 |
-52.48 |
1 |
4 |
1 |
44 |
384.883 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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)
|
5.54 |
9.57 |
-9.23 |
0 |
4 |
0 |
43 |
418.32 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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)
|
4.89 |
9.06 |
-9 |
0 |
4 |
0 |
43 |
383.875 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.89 |
11.92 |
-46.33 |
1 |
4 |
1 |
44 |
384.883 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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)
|
4.26 |
8.01 |
-9.47 |
0 |
5 |
0 |
52 |
379.456 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
4.26 |
10.87 |
-45.51 |
1 |
5 |
1 |
53 |
380.464 |
4 |
↓
|
|
|
|
|
Analogs
-
13692667
-
-
13728434
-
Draw
Identity
99%
90%
80%
70%
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)
|
3.53 |
7.21 |
-12.6 |
0 |
6 |
0 |
61 |
395.455 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.53 |
10.07 |
-55.99 |
1 |
6 |
1 |
62 |
396.463 |
5 |
↓
|
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