|
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)
|
0.90 |
6.71 |
-37.16 |
3 |
7 |
1 |
87 |
343.407 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
0.90 |
6.26 |
-21.25 |
2 |
7 |
0 |
85 |
342.399 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2,3,4-trifluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide
2,3,4-trifluoro-N-(5,6,7,8-tetra…
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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 |
7.82 |
-21.21 |
1 |
4 |
0 |
47 |
295.264 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.04 |
8.27 |
-38.78 |
2 |
4 |
1 |
48 |
296.272 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-(1,1,2,2-tetrafluoroethoxy)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide
2-(1,1,2,2-tetrafluoroethoxy)-N-…
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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 |
9.45 |
-18.63 |
1 |
5 |
0 |
56 |
357.307 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.45 |
9.91 |
-34.44 |
2 |
5 |
1 |
57 |
358.315 |
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)
|
1.29 |
7.41 |
-18.52 |
2 |
6 |
0 |
76 |
312.373 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
1.29 |
7.87 |
-32.63 |
3 |
6 |
1 |
77 |
313.381 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2,4,5-trimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide
2,4,5-trimethyl-N-(5,6,7,8-tetra…
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Google
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)
|
2.90 |
9.52 |
-13.55 |
1 |
4 |
0 |
47 |
283.375 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.90 |
9.98 |
-28.47 |
2 |
4 |
1 |
48 |
284.383 |
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)
|
1.87 |
8.28 |
-15.86 |
1 |
6 |
0 |
73 |
299.33 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.87 |
8.73 |
-33.7 |
2 |
6 |
1 |
74 |
300.338 |
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)
|
2.68 |
8.72 |
-18.15 |
1 |
5 |
0 |
56 |
285.347 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
2.68 |
9.18 |
-30.65 |
2 |
5 |
1 |
57 |
286.355 |
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)
|
2.52 |
9.17 |
-20.97 |
1 |
6 |
0 |
65 |
329.4 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
2.52 |
9.63 |
-32.06 |
2 |
6 |
1 |
67 |
330.408 |
7 |
↓
|
|
|
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)
|
2.75 |
8.8 |
-15.98 |
1 |
4 |
0 |
47 |
289.766 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
2.75 |
9.26 |
-30.24 |
2 |
4 |
1 |
48 |
290.774 |
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)
|
2.13 |
8.06 |
-30.76 |
2 |
5 |
1 |
57 |
286.355 |
3 |
↓
|
|