|
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)
|
1.65 |
-0.37 |
-44.75 |
2 |
8 |
-1 |
120 |
347.257 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.19 |
1.56 |
-17.47 |
3 |
8 |
0 |
117 |
348.265 |
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)
|
1.68 |
1.63 |
-40.29 |
1 |
7 |
-1 |
102 |
309.305 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
1.22 |
3.56 |
-11.98 |
2 |
7 |
0 |
99 |
310.313 |
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)
|
1.80 |
1.06 |
-41.01 |
2 |
8 |
-1 |
120 |
339.331 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.35 |
3.04 |
-11.88 |
3 |
8 |
0 |
117 |
340.339 |
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)
|
2.31 |
1.42 |
-42.19 |
2 |
8 |
-1 |
120 |
393.301 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.86 |
3.36 |
-13.71 |
3 |
8 |
0 |
117 |
394.309 |
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)
|
2.79 |
2.87 |
-40.99 |
1 |
7 |
-1 |
102 |
337.359 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
2.33 |
4.8 |
-13.08 |
2 |
7 |
0 |
99 |
338.367 |
3 |
↓
|
|
|
Analogs
-
55642219
-
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)
|
2.36 |
1.75 |
-41.59 |
2 |
8 |
-1 |
120 |
353.358 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.90 |
3.68 |
-14.09 |
3 |
8 |
0 |
117 |
354.366 |
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)
|
1.47 |
1.04 |
-40.97 |
1 |
7 |
-1 |
102 |
313.268 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
1.01 |
2.98 |
-14.34 |
2 |
7 |
0 |
99 |
314.276 |
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)
|
2.19 |
1.89 |
-40.59 |
2 |
8 |
-1 |
120 |
353.358 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.73 |
3.84 |
-11.37 |
3 |
8 |
0 |
117 |
354.366 |
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)
|
1.98 |
1.72 |
-39.12 |
2 |
8 |
-1 |
114 |
392.317 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.53 |
3.66 |
-10.44 |
3 |
8 |
0 |
111 |
393.325 |
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)
|
2.13 |
2.28 |
-41.78 |
1 |
7 |
-1 |
102 |
323.332 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
1.67 |
4.21 |
-13.63 |
2 |
7 |
0 |
99 |
324.34 |
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)
|
3.01 |
3.27 |
-41.43 |
1 |
7 |
-1 |
102 |
351.386 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
2.55 |
5.21 |
-13.25 |
2 |
7 |
0 |
99 |
352.394 |
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)
|
1.44 |
-2.17 |
-41.33 |
3 |
8 |
-1 |
131 |
331.695 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
0.99 |
-0.24 |
-13.84 |
4 |
8 |
0 |
128 |
332.703 |
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)
|
2.04 |
1.1 |
-39.59 |
2 |
7 |
-1 |
111 |
367.238 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
1.59 |
3.04 |
-14.17 |
3 |
7 |
0 |
108 |
368.246 |
3 |
↓
|
|