|
|
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)
|
2.92 |
6.15 |
-10.7 |
2 |
4 |
0 |
58 |
257.337 |
2 |
↓
|
|
|
|
Analogs
-
34987129
-
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)
|
2.92 |
5.76 |
-11.3 |
2 |
4 |
0 |
58 |
257.337 |
2 |
↓
|
|
|
|
Analogs
-
34987129
-
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)
|
2.92 |
5.76 |
-11.26 |
2 |
4 |
0 |
58 |
257.337 |
2 |
↓
|
|
|
|
Analogs
-
34987129
-
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)
|
2.92 |
6.15 |
-10.71 |
2 |
4 |
0 |
58 |
257.337 |
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)
|
2.45 |
5.92 |
-10.84 |
2 |
4 |
0 |
58 |
257.337 |
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)
|
2.22 |
6.53 |
-10.85 |
1 |
4 |
0 |
49 |
271.364 |
2 |
↓
|
|
|
|
Analogs
-
36792532
-
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)
|
2.45 |
6.36 |
-11.39 |
1 |
4 |
0 |
49 |
257.337 |
2 |
↓
|
|
|
|
Analogs
-
34987129
-
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)
|
2.69 |
7.03 |
-10.91 |
1 |
4 |
0 |
49 |
271.364 |
2 |
↓
|
|
|
|
Analogs
-
34987129
-
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)
|
2.69 |
7.43 |
-11.18 |
1 |
4 |
0 |
49 |
271.364 |
2 |
↓
|
|
|
|
Analogs
-
34987129
-
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)
|
2.69 |
7.43 |
-11.29 |
1 |
4 |
0 |
49 |
271.364 |
2 |
↓
|
|
|
|
Analogs
-
34987129
-
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)
|
2.69 |
7.03 |
-10.92 |
1 |
4 |
0 |
49 |
271.364 |
2 |
↓
|
|
|
|
Analogs
-
36792532
-
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)
|
2.83 |
7.49 |
-10.23 |
1 |
4 |
0 |
49 |
271.364 |
3 |
↓
|
|
|
|
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)
|
2.68 |
5.51 |
-11.25 |
2 |
4 |
0 |
58 |
257.337 |
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)
|
2.68 |
5.93 |
-10.67 |
2 |
4 |
0 |
58 |
257.337 |
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)
|
2.68 |
5.93 |
-10.67 |
2 |
4 |
0 |
58 |
257.337 |
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)
|
2.68 |
5.51 |
-11.26 |
2 |
4 |
0 |
58 |
257.337 |
2 |
↓
|
|