|
|
|
|
|
|
|
|
|
Analogs
-
41191845
-
-
41191848
-
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)
|
3.99 |
9.33 |
-38.57 |
2 |
2 |
1 |
29 |
287.452 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
3.99 |
8.64 |
-4.37 |
1 |
2 |
0 |
25 |
286.444 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
3.99 |
9.75 |
-102.88 |
3 |
2 |
2 |
31 |
288.46 |
6 |
↓
|
|
|
Analogs
-
41191845
-
-
41191848
-
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)
|
3.99 |
9.53 |
-32.56 |
2 |
2 |
1 |
29 |
287.452 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
3.99 |
8.51 |
-5.01 |
1 |
2 |
0 |
25 |
286.444 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
3.99 |
9.92 |
-100.43 |
3 |
2 |
2 |
31 |
288.46 |
6 |
↓
|
|
|
Analogs
-
41197706
-
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)
|
3.79 |
9.09 |
-35.35 |
2 |
2 |
1 |
29 |
287.452 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.79 |
8.28 |
-5.97 |
1 |
2 |
0 |
25 |
286.444 |
5 |
↓
|
|
|
Analogs
-
41197704
-
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)
|
3.79 |
9.29 |
-30.06 |
2 |
2 |
1 |
29 |
287.452 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.79 |
8.39 |
-4.15 |
1 |
2 |
0 |
25 |
286.444 |
5 |
↓
|
|
|
|
|
|
|
|
|
|