|
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)
|
1.72 |
4.93 |
-40.7 |
2 |
2 |
1 |
20 |
215.386 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.72 |
7.03 |
-119.49 |
3 |
2 |
2 |
21 |
216.394 |
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)
|
1.72 |
5.04 |
-40.32 |
2 |
2 |
1 |
20 |
215.386 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.72 |
7.13 |
-119.02 |
3 |
2 |
2 |
21 |
216.394 |
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)
|
2.04 |
5.46 |
-40.73 |
2 |
2 |
1 |
20 |
229.413 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.04 |
7.48 |
-117.32 |
3 |
2 |
2 |
21 |
230.421 |
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)
|
2.04 |
5.56 |
-40.45 |
2 |
2 |
1 |
20 |
229.413 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.04 |
7.58 |
-116.89 |
3 |
2 |
2 |
21 |
230.421 |
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)
|
1.36 |
5.14 |
-42.53 |
2 |
2 |
1 |
20 |
215.386 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.36 |
7.16 |
-118.62 |
3 |
2 |
2 |
21 |
216.394 |
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)
|
1.36 |
5.14 |
-42.47 |
2 |
2 |
1 |
20 |
215.386 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.36 |
7.16 |
-118.63 |
3 |
2 |
2 |
21 |
216.394 |
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)
|
1.76 |
5.99 |
-42.9 |
2 |
2 |
1 |
20 |
229.413 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.76 |
8.09 |
-122.82 |
3 |
2 |
2 |
21 |
230.421 |
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)
|
1.76 |
6.46 |
-43.17 |
2 |
2 |
1 |
20 |
229.413 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.76 |
8.16 |
-121.86 |
3 |
2 |
2 |
21 |
230.421 |
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)
|
1.76 |
6.46 |
-43.16 |
2 |
2 |
1 |
20 |
229.413 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.76 |
8.15 |
-121.84 |
3 |
2 |
2 |
21 |
230.421 |
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)
|
2.44 |
6.28 |
-41.17 |
2 |
2 |
1 |
20 |
243.44 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.44 |
8.4 |
-121.65 |
3 |
2 |
2 |
21 |
244.448 |
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)
|
2.44 |
6.77 |
-41.44 |
2 |
2 |
1 |
20 |
243.44 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.44 |
8.45 |
-120.78 |
3 |
2 |
2 |
21 |
244.448 |
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)
|
2.44 |
6.76 |
-41.45 |
2 |
2 |
1 |
20 |
243.44 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.44 |
8.45 |
-120.68 |
3 |
2 |
2 |
21 |
244.448 |
5 |
↓
|
|