|
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)
|
2.65 |
4.75 |
-46.8 |
2 |
2 |
1 |
29 |
223.346 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
2.65 |
3.38 |
-7.25 |
1 |
2 |
0 |
25 |
222.338 |
1 |
↓
|
|
|
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)
|
3.44 |
6.37 |
-46.6 |
2 |
2 |
1 |
29 |
251.4 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
3.44 |
5 |
-6.96 |
1 |
2 |
0 |
25 |
250.392 |
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)
|
3.45 |
5.37 |
-46.82 |
2 |
2 |
1 |
29 |
257.791 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.45 |
4.01 |
-5.48 |
1 |
2 |
0 |
25 |
256.783 |
1 |
↓
|
|
|
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)
|
3.38 |
5.37 |
-47.59 |
2 |
2 |
1 |
29 |
302.242 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.38 |
4 |
-5.62 |
1 |
2 |
0 |
25 |
301.234 |
1 |
↓
|
|
|
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)
|
2.87 |
5.58 |
-46.81 |
2 |
2 |
1 |
29 |
237.373 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
2.87 |
4.22 |
-7.34 |
1 |
2 |
0 |
25 |
236.365 |
1 |
↓
|
|
|
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)
|
3.58 |
5.48 |
-47.07 |
2 |
2 |
1 |
29 |
302.242 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.58 |
4.11 |
-5.48 |
1 |
2 |
0 |
25 |
301.234 |
1 |
↓
|
|
|
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)
|
3.02 |
5.64 |
-46.39 |
2 |
2 |
1 |
29 |
237.373 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.02 |
3.81 |
-7.96 |
1 |
2 |
0 |
25 |
236.365 |
1 |
↓
|
|