|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-phenyl-propan-1-ol
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
2.15 |
3.74 |
-4.87 |
1 |
3 |
0 |
33 |
261.365 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.15 |
5.97 |
-37.19 |
2 |
3 |
1 |
34 |
262.373 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-phenyl-propan-1-ol
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
2.15 |
3.77 |
-4.68 |
1 |
3 |
0 |
33 |
261.365 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.15 |
6.01 |
-36.98 |
2 |
3 |
1 |
34 |
262.373 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methyl-1-phenyl-propan
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
1.81 |
7.07 |
-37.3 |
2 |
3 |
1 |
26 |
275.416 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
1.81 |
5.94 |
-42.3 |
2 |
3 |
1 |
29 |
275.416 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.81 |
4.82 |
-3.47 |
1 |
3 |
0 |
24 |
274.408 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methyl-1-phenyl-propan
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
1.81 |
7.05 |
-34.02 |
2 |
3 |
1 |
26 |
275.416 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
1.81 |
5.95 |
-42.04 |
2 |
3 |
1 |
29 |
275.416 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.81 |
4.82 |
-3.32 |
1 |
3 |
0 |
24 |
274.408 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-ethyl-1-phenyl-propan-
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
2.18 |
8 |
-37.49 |
2 |
3 |
1 |
26 |
289.443 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.18 |
5.75 |
-3.33 |
1 |
3 |
0 |
24 |
288.435 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.18 |
6.77 |
-40.61 |
2 |
3 |
1 |
29 |
289.443 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-ethyl-1-phenyl-propan-
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
2.18 |
8 |
-34.11 |
2 |
3 |
1 |
26 |
289.443 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.18 |
6.79 |
-40.37 |
2 |
3 |
1 |
29 |
289.443 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.18 |
5.77 |
-3.16 |
1 |
3 |
0 |
24 |
288.435 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(4-bromophenyl)propan-
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
1.26 |
4.51 |
-4.13 |
2 |
3 |
0 |
38 |
339.277 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.26 |
4.86 |
-52.97 |
3 |
3 |
1 |
40 |
340.285 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.26 |
7.08 |
-130.8 |
4 |
3 |
2 |
41 |
341.293 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(4-bromophenyl)propan-
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
1.26 |
4.55 |
-3.64 |
2 |
3 |
0 |
38 |
339.277 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.26 |
4.87 |
-53.15 |
3 |
3 |
1 |
40 |
340.285 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.26 |
7.09 |
-130.69 |
4 |
3 |
2 |
41 |
341.293 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(4-bromophenyl)-N-meth
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
2.62 |
6.56 |
-47.05 |
2 |
3 |
1 |
29 |
354.312 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.62 |
5.45 |
-3.47 |
1 |
3 |
0 |
24 |
353.304 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.62 |
8.8 |
-123.99 |
3 |
3 |
2 |
30 |
355.32 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(4-bromophenyl)-N-meth
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
2.62 |
6.58 |
-46.78 |
2 |
3 |
1 |
29 |
354.312 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.62 |
5.45 |
-3.56 |
1 |
3 |
0 |
24 |
353.304 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.62 |
8.81 |
-124.2 |
3 |
3 |
2 |
30 |
355.32 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(3-bromophenyl)propan-
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
1.24 |
4.54 |
-3.73 |
2 |
3 |
0 |
38 |
339.277 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.24 |
4.85 |
-49.87 |
3 |
3 |
1 |
40 |
340.285 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.24 |
7.07 |
-126.74 |
4 |
3 |
2 |
41 |
341.293 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(3-bromophenyl)propan-
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
1.24 |
4.51 |
-4.16 |
2 |
3 |
0 |
38 |
339.277 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.24 |
4.86 |
-50.22 |
3 |
3 |
1 |
40 |
340.285 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.24 |
7.08 |
-126.68 |
4 |
3 |
2 |
41 |
341.293 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(3-bromophenyl)-N-meth
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
2.59 |
6.55 |
-46.3 |
2 |
3 |
1 |
29 |
354.312 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.59 |
5.44 |
-3.91 |
1 |
3 |
0 |
24 |
353.304 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.59 |
8.79 |
-122.21 |
3 |
3 |
2 |
30 |
355.32 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(3-bromophenyl)-N-meth
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
2.59 |
6.57 |
-46.06 |
2 |
3 |
1 |
29 |
354.312 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.59 |
5.44 |
-3.52 |
1 |
3 |
0 |
24 |
353.304 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.59 |
8.8 |
-122.54 |
3 |
3 |
2 |
30 |
355.32 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(p-tolyl)propan-1-amin
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
0.90 |
4.6 |
-3.55 |
2 |
3 |
0 |
38 |
274.408 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.90 |
4.91 |
-47.97 |
3 |
3 |
1 |
40 |
275.416 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
0.90 |
7.13 |
-123.46 |
4 |
3 |
2 |
41 |
276.424 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(p-tolyl)propan-1-amin
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
0.90 |
4.58 |
-3.99 |
2 |
3 |
0 |
38 |
274.408 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.90 |
4.92 |
-48.22 |
3 |
3 |
1 |
40 |
275.416 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
0.90 |
7.14 |
-123.25 |
4 |
3 |
2 |
41 |
276.424 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methyl-1-(p-tolyl)prop
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
2.25 |
7.73 |
-37.14 |
2 |
3 |
1 |
26 |
289.443 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.25 |
6.63 |
-42.12 |
2 |
3 |
1 |
29 |
289.443 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.25 |
5.49 |
-3.38 |
1 |
3 |
0 |
24 |
288.435 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methyl-1-(p-tolyl)prop
(1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
2.25 |
7.74 |
-33.84 |
2 |
3 |
1 |
26 |
289.443 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.25 |
6.62 |
-42.39 |
2 |
3 |
1 |
29 |
289.443 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.25 |
5.51 |
-3.25 |
1 |
3 |
0 |
24 |
288.435 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S,2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-methyl-1-phenyl-pro
(1S,2S)-3-[(4aS,7aS)-3,4a,5,6,7,…
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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)
|
0.93 |
5.99 |
-2.63 |
2 |
3 |
0 |
38 |
274.408 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.93 |
6.84 |
-42.04 |
3 |
3 |
1 |
40 |
275.416 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
0.93 |
6.76 |
-122.46 |
4 |
3 |
2 |
41 |
276.424 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S,2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-methyl-1-phenyl-pro
(1S,2R)-3-[(4aS,7aS)-3,4a,5,6,7,…
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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)
|
0.93 |
4.71 |
-3.06 |
2 |
3 |
0 |
38 |
274.408 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.93 |
4.99 |
-47.34 |
3 |
3 |
1 |
40 |
275.416 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
0.93 |
6.96 |
-120.7 |
4 |
3 |
2 |
41 |
276.424 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S,2S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N,2-dimethyl-1-phenyl
(1S,2S)-3-[(4aS,7aS)-3,4a,5,6,7,…
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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)
|
3.18 |
7.45 |
-33.33 |
2 |
3 |
1 |
26 |
289.443 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.18 |
6.42 |
-40.72 |
2 |
3 |
1 |
29 |
289.443 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.18 |
5.8 |
-2.96 |
1 |
3 |
0 |
24 |
288.435 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1S,2R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N,2-dimethyl-1-phenyl
(1S,2R)-3-[(4aS,7aS)-3,4a,5,6,7,…
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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)
|
3.18 |
7.78 |
-33.11 |
2 |
3 |
1 |
26 |
289.443 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.18 |
6.71 |
-41.43 |
2 |
3 |
1 |
29 |
289.443 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.18 |
5.87 |
-2.91 |
1 |
3 |
0 |
24 |
288.435 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2,2-dimethyl-1-phenyl-pr
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
1.34 |
5.23 |
-2.83 |
2 |
3 |
0 |
38 |
288.435 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.34 |
5.48 |
-47.62 |
3 |
3 |
1 |
40 |
289.443 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.34 |
7.22 |
-119.56 |
4 |
3 |
2 |
41 |
290.451 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2,2-dimethyl-1-phenyl-pr
(1R)-3-[(4aS,7aR)-3,4a,5,6,7,7a-…
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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)
|
1.34 |
5.36 |
-2.52 |
2 |
3 |
0 |
38 |
288.435 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.34 |
5.63 |
-47.4 |
3 |
3 |
1 |
40 |
289.443 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.34 |
7.09 |
-121.31 |
4 |
3 |
2 |
41 |
290.451 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2,2-dimethyl-1-phenyl-pr
(1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…
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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)
|
3.04 |
5.21 |
-4.03 |
1 |
3 |
0 |
33 |
289.419 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.04 |
6.93 |
-34.89 |
2 |
3 |
1 |
34 |
290.427 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(1R)-3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2,2-dimethyl-1-phenyl-pr
(1R)-3-[(4aS,7aR)-3,4a,5,6,7,7a-…
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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)
|
3.04 |
5.34 |
-3.7 |
1 |
3 |
0 |
33 |
289.419 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.04 |
6.78 |
-35.48 |
2 |
3 |
1 |
34 |
290.427 |
4 |
↓
|
|