|
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)
|
4.45 |
13.26 |
-61.06 |
0 |
7 |
-1 |
100 |
437.479 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
4.45 |
11.34 |
-15.76 |
1 |
7 |
0 |
97 |
438.487 |
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)
|
4.45 |
13.46 |
-56.06 |
0 |
7 |
-1 |
100 |
437.479 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
4.45 |
11.43 |
-14.56 |
1 |
7 |
0 |
97 |
438.487 |
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)
|
3.99 |
12.49 |
-61.41 |
0 |
7 |
-1 |
100 |
423.452 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
3.99 |
10.58 |
-16.07 |
1 |
7 |
0 |
97 |
424.46 |
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)
|
3.99 |
12.69 |
-56.19 |
0 |
7 |
-1 |
100 |
423.452 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
3.99 |
10.67 |
-15.03 |
1 |
7 |
0 |
97 |
424.46 |
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)
|
3.54 |
11.81 |
-61.53 |
0 |
7 |
-1 |
100 |
409.425 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
3.54 |
9.91 |
-16.24 |
1 |
7 |
0 |
97 |
410.433 |
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)
|
3.54 |
12.02 |
-55.94 |
0 |
7 |
-1 |
100 |
409.425 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
3.54 |
9.99 |
-15.13 |
1 |
7 |
0 |
97 |
410.433 |
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)
|
3.97 |
12.05 |
-60.42 |
0 |
8 |
-1 |
110 |
453.478 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.97 |
10.13 |
-16.54 |
1 |
8 |
0 |
107 |
454.486 |
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)
|
3.97 |
12.25 |
-55.49 |
0 |
8 |
-1 |
110 |
453.478 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.97 |
10.22 |
-14.5 |
1 |
8 |
0 |
107 |
454.486 |
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)
|
5.05 |
13.73 |
-60.68 |
0 |
7 |
-1 |
100 |
451.506 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
5.05 |
11.83 |
-15.55 |
1 |
7 |
0 |
97 |
452.514 |
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)
|
5.05 |
13.93 |
-55.75 |
0 |
7 |
-1 |
100 |
451.506 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
5.05 |
11.91 |
-14.4 |
1 |
7 |
0 |
97 |
452.514 |
4 |
↓
|
|