|
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)
|
1.15 |
3.79 |
-55.19 |
2 |
3 |
1 |
51 |
286.442 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.15 |
2.85 |
-11.51 |
1 |
3 |
0 |
46 |
285.434 |
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)
|
1.15 |
3.16 |
-55.26 |
2 |
3 |
1 |
51 |
286.442 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.15 |
2.99 |
-11.77 |
1 |
3 |
0 |
46 |
285.434 |
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)
|
1.15 |
3.98 |
-54.71 |
2 |
3 |
1 |
51 |
286.442 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.15 |
3.02 |
-11.91 |
1 |
3 |
0 |
46 |
285.434 |
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)
|
1.15 |
3.99 |
-53.55 |
2 |
3 |
1 |
51 |
286.442 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.15 |
3.02 |
-12.3 |
1 |
3 |
0 |
46 |
285.434 |
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)
|
-0.21 |
0.09 |
-12.68 |
2 |
4 |
0 |
66 |
287.406 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.21 |
1.05 |
-52.74 |
3 |
4 |
1 |
71 |
288.414 |
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)
|
-0.21 |
-0.06 |
-12.67 |
2 |
4 |
0 |
66 |
287.406 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.21 |
0.86 |
-53.42 |
3 |
4 |
1 |
71 |
288.414 |
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)
|
-0.21 |
-0.57 |
-14.02 |
2 |
4 |
0 |
66 |
287.406 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.21 |
-0.16 |
-58.13 |
3 |
4 |
1 |
71 |
288.414 |
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)
|
-0.21 |
-0.56 |
-13.7 |
2 |
4 |
0 |
66 |
287.406 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.21 |
0.45 |
-55.92 |
3 |
4 |
1 |
71 |
288.414 |
2 |
↓
|
|