|
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)
|
1.86 |
8.09 |
-47.73 |
2 |
5 |
1 |
56 |
293.416 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.86 |
6.67 |
-14.29 |
1 |
5 |
0 |
51 |
292.408 |
6 |
↓
|
|
|
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)
|
1.86 |
8.1 |
-47.54 |
2 |
5 |
1 |
56 |
293.416 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.86 |
6.79 |
-13.42 |
1 |
5 |
0 |
51 |
292.408 |
6 |
↓
|
|
|
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)
|
1.86 |
8.11 |
-47.62 |
2 |
5 |
1 |
56 |
293.416 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.86 |
6.75 |
-13.22 |
1 |
5 |
0 |
51 |
292.408 |
6 |
↓
|
|
|
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)
|
1.86 |
8.1 |
-47.8 |
2 |
5 |
1 |
56 |
293.416 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.86 |
6.89 |
-13.12 |
1 |
5 |
0 |
51 |
292.408 |
6 |
↓
|
|
|
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)
|
2.17 |
8.05 |
-46.19 |
2 |
5 |
1 |
56 |
293.416 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.17 |
6.79 |
-13.7 |
1 |
5 |
0 |
51 |
292.408 |
6 |
↓
|
|
|
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)
|
2.17 |
7.76 |
-45.93 |
2 |
5 |
1 |
56 |
293.416 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.17 |
6.57 |
-13.7 |
1 |
5 |
0 |
51 |
292.408 |
6 |
↓
|
|
|
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)
|
2.17 |
7.79 |
-46.2 |
2 |
5 |
1 |
56 |
293.416 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.17 |
6.55 |
-14.21 |
1 |
5 |
0 |
51 |
292.408 |
6 |
↓
|
|
|
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)
|
2.17 |
8.02 |
-46.02 |
2 |
5 |
1 |
56 |
293.416 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.17 |
7.13 |
-12.77 |
1 |
5 |
0 |
51 |
292.408 |
6 |
↓
|
|
|
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)
|
1.49 |
7.32 |
-47.68 |
2 |
5 |
1 |
56 |
279.389 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.49 |
5.9 |
-14.51 |
1 |
5 |
0 |
51 |
278.381 |
6 |
↓
|
|
|
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)
|
1.49 |
7.33 |
-47.77 |
2 |
5 |
1 |
56 |
279.389 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.49 |
5.99 |
-13.63 |
1 |
5 |
0 |
51 |
278.381 |
6 |
↓
|
|