|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-phenyl-acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.31 |
5.08 |
-44.2 |
3 |
4 |
1 |
49 |
274.388 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.31 |
6.1 |
-35.7 |
3 |
4 |
1 |
46 |
274.388 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-phenyl-acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.31 |
4.79 |
-45.39 |
3 |
4 |
1 |
49 |
274.388 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.31 |
5.92 |
-38.08 |
3 |
4 |
1 |
46 |
274.388 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(4-fluorophenyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.48 |
5.16 |
-47.72 |
3 |
4 |
1 |
49 |
292.378 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.48 |
6.17 |
-37.23 |
3 |
4 |
1 |
46 |
292.378 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(4-fluorophenyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.48 |
4.86 |
-48.95 |
3 |
4 |
1 |
49 |
292.378 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.48 |
5.99 |
-39.57 |
3 |
4 |
1 |
46 |
292.378 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(2-fluorophenyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.43 |
5.22 |
-43.14 |
3 |
4 |
1 |
49 |
292.378 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.43 |
6.22 |
-34.67 |
3 |
4 |
1 |
46 |
292.378 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(2-fluorophenyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.43 |
4.92 |
-44.36 |
3 |
4 |
1 |
49 |
292.378 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.43 |
6.04 |
-36.88 |
3 |
4 |
1 |
46 |
292.378 |
4 |
↓
|
|
|
Analogs
Draw
Identity
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90%
80%
70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(3-fluorophenyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.45 |
5.16 |
-46.49 |
3 |
4 |
1 |
49 |
292.378 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.45 |
6.17 |
-36.26 |
3 |
4 |
1 |
46 |
292.378 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(3-fluorophenyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.45 |
4.86 |
-47.72 |
3 |
4 |
1 |
49 |
292.378 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.45 |
5.99 |
-38.6 |
3 |
4 |
1 |
46 |
292.378 |
4 |
↓
|
|
|
Analogs
Draw
Identity
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90%
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70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(4-bromophenyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
3.12 |
5.72 |
-46.87 |
3 |
4 |
1 |
49 |
353.284 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.12 |
6.73 |
-36.51 |
3 |
4 |
1 |
46 |
353.284 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(4-bromophenyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
3.12 |
5.42 |
-48.16 |
3 |
4 |
1 |
49 |
353.284 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.12 |
6.55 |
-38.87 |
3 |
4 |
1 |
46 |
353.284 |
4 |
↓
|
|
|
Analogs
Draw
Identity
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90%
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70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(4-chlorophenyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.99 |
5.6 |
-46.8 |
3 |
4 |
1 |
49 |
308.833 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.99 |
6.62 |
-36.47 |
3 |
4 |
1 |
46 |
308.833 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(4-chlorophenyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.99 |
5.31 |
-48.05 |
3 |
4 |
1 |
49 |
308.833 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.99 |
6.44 |
-38.8 |
3 |
4 |
1 |
46 |
308.833 |
4 |
↓
|
|
|
Analogs
Draw
Identity
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90%
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70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(3-chlorophenyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.97 |
5.61 |
-45.69 |
3 |
4 |
1 |
49 |
308.833 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.97 |
6.62 |
-35.62 |
3 |
4 |
1 |
46 |
308.833 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(3-chlorophenyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.97 |
5.31 |
-46.91 |
3 |
4 |
1 |
49 |
308.833 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.97 |
6.44 |
-37.98 |
3 |
4 |
1 |
46 |
308.833 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(2-chlorophenyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.94 |
5.72 |
-42.46 |
3 |
4 |
1 |
49 |
308.833 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.94 |
6.72 |
-34.12 |
3 |
4 |
1 |
46 |
308.833 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(2-chlorophenyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.94 |
5.42 |
-43.8 |
3 |
4 |
1 |
49 |
308.833 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.94 |
6.54 |
-36.33 |
3 |
4 |
1 |
46 |
308.833 |
4 |
↓
|
|
|
Analogs
Draw
Identity
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70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(3-bromophenyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
3.10 |
5.72 |
-45.62 |
3 |
4 |
1 |
49 |
353.284 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.10 |
6.73 |
-35.58 |
3 |
4 |
1 |
46 |
353.284 |
4 |
↓
|
|
|
Analogs
Draw
Identity
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70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(3-bromophenyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
3.10 |
5.42 |
-46.85 |
3 |
4 |
1 |
49 |
353.284 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.10 |
6.55 |
-37.93 |
3 |
4 |
1 |
46 |
353.284 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(2-bromophenyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
3.07 |
5.85 |
-42.43 |
3 |
4 |
1 |
49 |
353.284 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.07 |
6.85 |
-34.06 |
3 |
4 |
1 |
46 |
353.284 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(2-bromophenyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
3.07 |
5.55 |
-43.69 |
3 |
4 |
1 |
49 |
353.284 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.07 |
6.67 |
-36.3 |
3 |
4 |
1 |
46 |
353.284 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(p-tolyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.76 |
5.76 |
-44.11 |
3 |
4 |
1 |
49 |
288.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.76 |
6.78 |
-35.69 |
3 |
4 |
1 |
46 |
288.415 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(p-tolyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.76 |
5.47 |
-45.35 |
3 |
4 |
1 |
49 |
288.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.76 |
6.6 |
-38.05 |
3 |
4 |
1 |
46 |
288.415 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(m-tolyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.74 |
5.77 |
-44.18 |
3 |
4 |
1 |
49 |
288.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.74 |
6.78 |
-35.64 |
3 |
4 |
1 |
46 |
288.415 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(m-tolyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.74 |
5.47 |
-45.44 |
3 |
4 |
1 |
49 |
288.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.74 |
6.6 |
-38.09 |
3 |
4 |
1 |
46 |
288.415 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(o-tolyl)acetamide
2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.71 |
5.99 |
-44.51 |
3 |
4 |
1 |
49 |
288.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.71 |
7 |
-35.84 |
3 |
4 |
1 |
46 |
288.415 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(o-tolyl)acetamide
2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…
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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)
|
2.71 |
5.69 |
-45.79 |
3 |
4 |
1 |
49 |
288.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.71 |
6.82 |
-38.28 |
3 |
4 |
1 |
46 |
288.415 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(2S)-2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-phenyl-propanamide
(2S)-2-[[(1R,8aR)-1,2,3,5,6,7,8,…
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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)
|
2.27 |
5.57 |
-37.85 |
3 |
4 |
1 |
49 |
288.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.27 |
6.59 |
-34.89 |
3 |
4 |
1 |
46 |
288.415 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(2R)-2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-phenyl-propanamide
(2R)-2-[[(1R,8aR)-1,2,3,5,6,7,8,…
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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)
|
2.27 |
5.6 |
-39.67 |
3 |
4 |
1 |
49 |
288.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.27 |
6.82 |
-35.37 |
3 |
4 |
1 |
46 |
288.415 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(2S)-2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-phenyl-propanamide
(2S)-2-[[(1S,8aR)-1,2,3,5,6,7,8,…
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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)
|
2.27 |
5.32 |
-40.83 |
3 |
4 |
1 |
49 |
288.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.27 |
6.55 |
-36.48 |
3 |
4 |
1 |
46 |
288.415 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(2R)-2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-phenyl-propanamide
(2R)-2-[[(1S,8aR)-1,2,3,5,6,7,8,…
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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)
|
2.27 |
5.28 |
-42.09 |
3 |
4 |
1 |
49 |
288.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.27 |
6.51 |
-38.59 |
3 |
4 |
1 |
46 |
288.415 |
4 |
↓
|
|