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Analogs
-
41544351
-
-
20149927
-
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)
|
2.54 |
9.98 |
-66.27 |
1 |
6 |
0 |
78 |
443.544 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
2.54 |
9.08 |
-44.1 |
2 |
6 |
1 |
75 |
444.552 |
6 |
↓
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Analogs
-
41544367
-
-
4427898
-
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)
|
2.59 |
10.61 |
-68.07 |
1 |
6 |
0 |
78 |
443.544 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
2.59 |
9.86 |
-52.5 |
2 |
6 |
1 |
75 |
444.552 |
6 |
↓
|
|
|
Analogs
-
4427898
-
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)
|
2.59 |
10.13 |
-63.69 |
1 |
6 |
0 |
78 |
443.544 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
2.59 |
9.37 |
-47.71 |
2 |
6 |
1 |
75 |
444.552 |
6 |
↓
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Analogs
-
41544377
-
-
20132589
-
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)
|
3.10 |
10.56 |
-63.19 |
1 |
6 |
0 |
78 |
459.999 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
3.10 |
9.81 |
-46.98 |
2 |
6 |
1 |
75 |
461.007 |
6 |
↓
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Analogs
-
41544392
-
-
9186445
-
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)
|
2.36 |
11.14 |
-66.83 |
1 |
9 |
0 |
124 |
470.551 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
2.36 |
10.39 |
-56.06 |
2 |
9 |
1 |
121 |
471.559 |
7 |
↓
|
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Analogs
-
41544397
-
-
9042783
-
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)
|
3.21 |
11.05 |
-65.95 |
1 |
6 |
0 |
78 |
504.45 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
3.21 |
10.3 |
-50.03 |
2 |
6 |
1 |
75 |
505.458 |
6 |
↓
|
|
|
Analogs
-
9042783
-
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)
|
3.21 |
10.67 |
-62.62 |
1 |
6 |
0 |
78 |
504.45 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
3.21 |
9.92 |
-46.66 |
2 |
6 |
1 |
75 |
505.458 |
6 |
↓
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Analogs
-
33812814
-
-
8983168
-
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)
|
3.12 |
10.86 |
-64.66 |
1 |
7 |
0 |
87 |
481.618 |
9 |
↓
|
Lo
Low (pH 4.5-6)
|
3.12 |
10.1 |
-46.51 |
2 |
7 |
1 |
84 |
482.626 |
9 |
↓
|
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