|
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)
|
1.67 |
6.96 |
-8.82 |
0 |
5 |
0 |
44 |
322.449 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
1.67 |
8.85 |
-36.11 |
1 |
5 |
1 |
45 |
323.457 |
7 |
↓
|
|
|
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)
|
1.88 |
6.3 |
-7.68 |
0 |
4 |
0 |
34 |
278.396 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.88 |
8.33 |
-30.33 |
1 |
4 |
1 |
36 |
279.404 |
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)
|
1.50 |
5.44 |
-8.03 |
0 |
4 |
0 |
34 |
264.369 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
1.50 |
7.48 |
-30.76 |
1 |
4 |
1 |
36 |
265.377 |
3 |
↓
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Analogs
-
42775131
-
-
42775135
-
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)
|
1.40 |
5.93 |
-7.89 |
0 |
4 |
0 |
34 |
264.369 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.40 |
8.04 |
-32.04 |
1 |
4 |
1 |
36 |
265.377 |
4 |
↓
|
|
|
Analogs
-
42775131
-
-
42775135
-
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)
|
1.40 |
5.93 |
-7.85 |
0 |
4 |
0 |
34 |
264.369 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.40 |
8.04 |
-32.06 |
1 |
4 |
1 |
36 |
265.377 |
4 |
↓
|
|
|
|
|
|
|
|
|
|