|
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)
|
-0.23 |
2.84 |
-56.09 |
2 |
5 |
1 |
69 |
284.405 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.23 |
1.89 |
-14.19 |
1 |
5 |
0 |
64 |
283.397 |
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)
|
-0.23 |
2.66 |
-57.44 |
2 |
5 |
1 |
69 |
284.405 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.23 |
1.67 |
-15.22 |
1 |
5 |
0 |
64 |
283.397 |
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)
|
-0.23 |
2.65 |
-57.31 |
2 |
5 |
1 |
69 |
284.405 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.23 |
1.64 |
-17.57 |
1 |
5 |
0 |
64 |
283.397 |
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)
|
-0.23 |
2.87 |
-56.14 |
2 |
5 |
1 |
69 |
284.405 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.23 |
1.86 |
-14.87 |
1 |
5 |
0 |
64 |
283.397 |
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)
|
-0.87 |
0.14 |
-59.58 |
3 |
6 |
1 |
89 |
314.431 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.87 |
-0.86 |
-15.63 |
2 |
6 |
0 |
84 |
313.423 |
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)
|
-0.87 |
0.38 |
-58.4 |
3 |
6 |
1 |
89 |
314.431 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.87 |
-0.6 |
-14.75 |
2 |
6 |
0 |
84 |
313.423 |
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)
|
-0.87 |
0.36 |
-58.55 |
3 |
6 |
1 |
89 |
314.431 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.87 |
-0.68 |
-15.42 |
2 |
6 |
0 |
84 |
313.423 |
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)
|
-0.87 |
0.16 |
-59.34 |
3 |
6 |
1 |
89 |
314.431 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.87 |
-0.85 |
-17.95 |
2 |
6 |
0 |
84 |
313.423 |
4 |
↓
|
|