|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
1-[(1R,4aS,8aR)-1-(2,3-dichlorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanon
1-[(1R,4aS,8aR)-1-(2,3-dichlorop…
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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)
|
3.89 |
7.24 |
-9.48 |
1 |
3 |
0 |
41 |
342.266 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
1-[(1R,4aR,8aR)-1-(2,3-dichlorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanon
1-[(1R,4aR,8aR)-1-(2,3-dichlorop…
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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)
|
3.89 |
6.59 |
-8.44 |
1 |
3 |
0 |
41 |
342.266 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
1-[(1R,4aS,8aS)-1-(2,3-dichlorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanon
1-[(1R,4aS,8aS)-1-(2,3-dichlorop…
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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)
|
3.89 |
7.55 |
-9.14 |
1 |
3 |
0 |
41 |
342.266 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
1-[(1R,4aS,8aR)-4a-hydroxy-1-(2-hydroxy-5-nitro-phenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]e
1-[(1R,4aS,8aR)-4a-hydroxy-1-(2-…
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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)
|
2.50 |
4.97 |
-17.39 |
2 |
7 |
0 |
107 |
334.372 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.50 |
5.73 |
-38.24 |
1 |
7 |
-1 |
109 |
333.364 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
1-[(1R,4aR,8aR)-4a-hydroxy-1-(2-hydroxy-5-nitro-phenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]e
1-[(1R,4aR,8aR)-4a-hydroxy-1-(2-…
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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)
|
2.50 |
3.61 |
-16.6 |
2 |
7 |
0 |
107 |
334.372 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.50 |
4.39 |
-47.23 |
1 |
7 |
-1 |
109 |
333.364 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-hydroxy-5-nitro-phenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]e
1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-…
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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)
|
2.50 |
5.11 |
-23.97 |
2 |
7 |
0 |
107 |
334.372 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.50 |
5.89 |
-29.93 |
1 |
7 |
-1 |
109 |
333.364 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
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70%
Popular Name:
1-[(1R,4aR,8aS)-4a-hydroxy-1-(2-hydroxy-5-nitro-phenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]e
1-[(1R,4aR,8aS)-4a-hydroxy-1-(2-…
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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)
|
2.50 |
3.98 |
-15.17 |
2 |
7 |
0 |
107 |
334.372 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.50 |
4.76 |
-46.75 |
1 |
7 |
-1 |
109 |
333.364 |
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)
|
3.77 |
9.73 |
-47.19 |
2 |
4 |
1 |
51 |
352.882 |
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)
|
3.77 |
8.72 |
-43.61 |
2 |
4 |
1 |
51 |
352.882 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
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Popular Name:
(1R,4aS,8aR)-1-(3,4-dichlorophenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
(1R,4aS,8aR)-1-(3,4-dichlorophen…
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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)
|
4.55 |
7.93 |
-42.83 |
2 |
2 |
1 |
25 |
315.264 |
1 |
↓
|
|
|
Analogs
Draw
Identity
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90%
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Popular Name:
(1R,4aR,8aR)-1-(3,4-dichlorophenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
(1R,4aR,8aR)-1-(3,4-dichlorophen…
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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)
|
4.55 |
7.86 |
-39.8 |
2 |
2 |
1 |
25 |
315.264 |
1 |
↓
|
|
|
Analogs
Draw
Identity
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90%
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Popular Name:
1-[(1R,4aS,8aR)-1-(3-bromophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanone
1-[(1R,4aS,8aR)-1-(3-bromophenyl…
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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)
|
3.41 |
7.33 |
-7.2 |
1 |
3 |
0 |
41 |
352.272 |
1 |
↓
|
|
|
Analogs
Draw
Identity
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90%
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Popular Name:
1-[(1R,4aR,8aR)-1-(3-bromophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanone
1-[(1R,4aR,8aR)-1-(3-bromophenyl…
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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)
|
3.41 |
6.4 |
-7.64 |
1 |
3 |
0 |
41 |
352.272 |
1 |
↓
|
|
|
Analogs
Draw
Identity
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90%
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Popular Name:
1-[(1R,4aS,8aS)-1-(3-bromophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanone
1-[(1R,4aS,8aS)-1-(3-bromophenyl…
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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)
|
3.41 |
7.7 |
-8.98 |
1 |
3 |
0 |
41 |
352.272 |
1 |
↓
|
|
|
Analogs
Draw
Identity
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90%
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70%
Popular Name:
1-[(1R,4aR,8aR)-4a-hydroxy-1-(3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]ethanone
1-[(1R,4aR,8aR)-4a-hydroxy-1-(3-…
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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)
|
2.66 |
5.05 |
-9.98 |
1 |
4 |
0 |
50 |
303.402 |
2 |
↓
|
|
|
Analogs
Draw
Identity
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90%
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70%
Popular Name:
(1R,4aS,8aR)-1-(2,3-dichlorophenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
(1R,4aS,8aR)-1-(2,3-dichlorophen…
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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)
|
4.53 |
8.84 |
-38 |
2 |
2 |
1 |
25 |
315.264 |
1 |
↓
|
|
|
Analogs
Draw
Identity
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70%
Popular Name:
(1R,4aR,8aR)-1-(2,3-dichlorophenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
(1R,4aR,8aR)-1-(2,3-dichlorophen…
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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)
|
4.53 |
7.78 |
-38.01 |
2 |
2 |
1 |
25 |
315.264 |
1 |
↓
|
|
|
Analogs
-
42383349
-
-
42383352
-
Draw
Identity
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70%
Popular Name:
1-[(1S,4aR,8aS)-4a-hydroxy-1-(2,3,4-trimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]eth
1-[(1S,4aR,8aS)-4a-hydroxy-1-(2,…
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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)
|
2.46 |
6.25 |
-11.39 |
1 |
6 |
0 |
68 |
363.454 |
4 |
↓
|
|
|
Analogs
-
42383349
-
-
42383352
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
1-[(1S,4aR,8aR)-4a-hydroxy-1-(2,3,4-trimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]eth
1-[(1S,4aR,8aR)-4a-hydroxy-1-(2,…
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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)
|
2.46 |
4.72 |
-14.81 |
1 |
6 |
0 |
68 |
363.454 |
4 |
↓
|
|
|
Analogs
-
42383349
-
-
42383352
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
1-[(1R,4aR,8aR)-4a-hydroxy-1-(2,3,4-trimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]eth
1-[(1R,4aR,8aR)-4a-hydroxy-1-(2,…
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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)
|
2.46 |
5.08 |
-12.53 |
1 |
6 |
0 |
68 |
363.454 |
4 |
↓
|
|
|
Analogs
Draw
Identity
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90%
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70%
Popular Name:
(1R,4aS,8aR)-1-(4-fluorophenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
(1R,4aS,8aR)-1-(4-fluorophenyl)-…
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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)
|
3.43 |
7.03 |
-41.73 |
2 |
2 |
1 |
25 |
264.364 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R,4aR,8aR)-1-(4-fluorophenyl)-2-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
(1R,4aR,8aR)-1-(4-fluorophenyl)-…
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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)
|
3.43 |
6.98 |
-37.27 |
2 |
2 |
1 |
25 |
264.364 |
1 |
↓
|
|
|
Analogs
-
4837176
-
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)
|
3.08 |
4.62 |
-41.38 |
3 |
3 |
1 |
46 |
262.373 |
2 |
↓
|
|
|
Analogs
-
4837176
-
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)
|
3.08 |
4.19 |
-44.24 |
3 |
3 |
1 |
46 |
262.373 |
2 |
↓
|
|
|
Analogs
-
4031361
-
-
4031362
-
-
4031363
-
-
34627986
-
-
1322577
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S,4aR,8aS)-1-(2,6-dichlorophenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol
(1S,4aR,8aS)-1-(2,6-dichlorophen…
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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)
|
4.28 |
-2.96 |
-31.39 |
3 |
2 |
1 |
36 |
301.237 |
1 |
↓
|
|
|
Analogs
-
3995995
-
-
4029574
-
-
4137220
-
-
4137222
-
-
4137223
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S,4aR,8aS)-1-(p-tolyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol
(1S,4aR,8aS)-1-(p-tolyl)-2,3,4,5…
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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)
|
3.47 |
-1.97 |
-41.76 |
3 |
2 |
1 |
36 |
246.374 |
1 |
↓
|
|
|
Analogs
-
4029580
-
-
4311517
-
-
4311518
-
-
4311519
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S,4aR,8aS)-1-(4-bromophenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol
(1S,4aR,8aS)-1-(4-bromophenyl)-2…
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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)
|
3.83 |
-3.05 |
-46.01 |
3 |
2 |
1 |
36 |
311.243 |
1 |
↓
|
|
|
Analogs
-
2154855
-
-
3995518
-
-
4062052
-
-
4949657
-
-
4949668
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S,4aR,8aS)-1-(3,4-dimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol
(1S,4aR,8aS)-1-(3,4-dimethoxyphe…
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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)
|
2.67 |
-1.95 |
-49.26 |
3 |
4 |
1 |
55 |
292.399 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S,4aS,8aR)-1-(2-hydroxy-5-nitro-phenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
(1S,4aS,8aR)-1-(2-hydroxy-5-nitr…
Find On:
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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)
|
2.90 |
3.57 |
-47.63 |
4 |
6 |
1 |
103 |
293.343 |
2 |
↓
|
|
|
Analogs
-
8917840
-
-
8917841
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[(1R,4aR,8aR)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-[(2
2-[(1R,4aR,8aR)-1-(2,4-dimethoxy…
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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)
|
6.11 |
8.99 |
-32.14 |
3 |
6 |
1 |
72 |
461.667 |
11 |
↓
|
|
|
Analogs
-
8917840
-
-
8917841
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-[(1R,4aR,8aR)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-[(2
2-[(1R,4aR,8aR)-1-(2,4-dimethoxy…
Find On:
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Wikipedia —
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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)
|
6.11 |
9.12 |
-32.24 |
3 |
6 |
1 |
72 |
461.667 |
11 |
↓
|
|