|
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)
|
0.06 |
2.73 |
-57.88 |
2 |
4 |
1 |
64 |
256.347 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.06 |
1.77 |
-12.77 |
1 |
4 |
0 |
59 |
255.339 |
2 |
↓
|
|
|
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)
|
0.06 |
2.1 |
-57.22 |
2 |
4 |
1 |
64 |
256.347 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.06 |
1.56 |
-12.22 |
1 |
4 |
0 |
59 |
255.339 |
2 |
↓
|
|
|
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)
|
0.06 |
2.1 |
-57.21 |
2 |
4 |
1 |
64 |
256.347 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.06 |
1.6 |
-13.98 |
1 |
4 |
0 |
59 |
255.339 |
2 |
↓
|
|
|
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)
|
0.06 |
2.74 |
-58.27 |
2 |
4 |
1 |
64 |
256.347 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.06 |
1.76 |
-13.54 |
1 |
4 |
0 |
59 |
255.339 |
2 |
↓
|
|
|
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)
|
1.17 |
3.8 |
-57.81 |
2 |
4 |
1 |
64 |
298.428 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.17 |
3.29 |
-12.03 |
1 |
4 |
0 |
59 |
297.42 |
2 |
↓
|
|
|
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)
|
1.17 |
4.44 |
-58.42 |
2 |
4 |
1 |
64 |
298.428 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.17 |
3.49 |
-12.62 |
1 |
4 |
0 |
59 |
297.42 |
2 |
↓
|
|
|
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)
|
1.17 |
4.45 |
-58.83 |
2 |
4 |
1 |
64 |
298.428 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.17 |
3.48 |
-13.35 |
1 |
4 |
0 |
59 |
297.42 |
2 |
↓
|
|
|
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)
|
1.17 |
3.8 |
-57.74 |
2 |
4 |
1 |
64 |
298.428 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.17 |
3.32 |
-13.86 |
1 |
4 |
0 |
59 |
297.42 |
2 |
↓
|
|