|
Analogs
-
19727052
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10R)-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-ol
(10R)-3,6,7,8,9,10-hexahydro-2H-…
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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)
|
1.90 |
3.47 |
-9.28 |
1 |
3 |
0 |
39 |
220.268 |
0 |
↓
|
|
|
Analogs
-
19727051
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10S)-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-ol
(10S)-3,6,7,8,9,10-hexahydro-2H-…
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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)
|
1.90 |
3.47 |
-9.24 |
1 |
3 |
0 |
39 |
220.268 |
0 |
↓
|
|
|
Analogs
-
19727128
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10R)-10-chloro-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxine
(10R)-10-chloro-3,6,7,8,9,10-hex…
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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)
|
3.27 |
6.88 |
-5.29 |
0 |
2 |
0 |
18 |
238.714 |
0 |
↓
|
|
|
Analogs
-
19727127
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10S)-10-chloro-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxine
(10S)-10-chloro-3,6,7,8,9,10-hex…
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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)
|
3.27 |
6.88 |
-5.25 |
0 |
2 |
0 |
18 |
238.714 |
0 |
↓
|
|
|
Analogs
-
19727308
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10R)-10-(aminomethyl)-2,3,6,7,8,9-hexahydrocyclohepta[g][1,4]benzodioxin-10-ol
(10R)-10-(aminomethyl)-2,3,6,7,8…
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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)
|
0.91 |
1.71 |
-57.16 |
4 |
4 |
1 |
66 |
250.318 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
0.91 |
1.12 |
-7.97 |
3 |
4 |
0 |
65 |
249.31 |
1 |
↓
|
|
|
Analogs
-
19727306
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10S)-10-(aminomethyl)-2,3,6,7,8,9-hexahydrocyclohepta[g][1,4]benzodioxin-10-ol
(10S)-10-(aminomethyl)-2,3,6,7,8…
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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)
|
0.91 |
1.71 |
-57.14 |
4 |
4 |
1 |
66 |
250.318 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
0.91 |
1.42 |
-8.12 |
3 |
4 |
0 |
65 |
249.31 |
1 |
↓
|
|
|
Analogs
-
19727449
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10R)-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine
(10R)-3,6,7,8,9,10-hexahydro-2H-…
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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)
|
0.20 |
4.02 |
-51.06 |
3 |
3 |
1 |
46 |
220.292 |
0 |
↓
|
|
|
Analogs
-
19727448
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10S)-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine
(10S)-3,6,7,8,9,10-hexahydro-2H-…
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)
|
0.20 |
4.01 |
-51.16 |
3 |
3 |
1 |
46 |
220.292 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10R)-N-methyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine
(10R)-N-methyl-3,6,7,8,9,10-hexa…
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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)
|
1.55 |
6.36 |
-39.08 |
2 |
3 |
1 |
35 |
234.319 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10S)-N-methyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine
(10S)-N-methyl-3,6,7,8,9,10-hexa…
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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)
|
1.55 |
5.52 |
-42.33 |
2 |
3 |
1 |
35 |
234.319 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10R)-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine
(10R)-N-ethyl-3,6,7,8,9,10-hexah…
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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)
|
1.92 |
7.18 |
-37.52 |
2 |
3 |
1 |
35 |
248.346 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10S)-N-ethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine
(10S)-N-ethyl-3,6,7,8,9,10-hexah…
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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)
|
1.92 |
6.35 |
-40.3 |
2 |
3 |
1 |
35 |
248.346 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10R)-N-propyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine
(10R)-N-propyl-3,6,7,8,9,10-hexa…
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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 |
7.95 |
-38.03 |
2 |
3 |
1 |
35 |
262.373 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10S)-N-propyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-10-amine
(10S)-N-propyl-3,6,7,8,9,10-hexa…
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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 |
7.11 |
-41.04 |
2 |
3 |
1 |
35 |
262.373 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10R)-10-bromo-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxine
(10R)-10-bromo-3,6,7,8,9,10-hexa…
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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)
|
3.40 |
6.96 |
-5 |
0 |
2 |
0 |
18 |
283.165 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
(10S)-10-bromo-3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxine
(10S)-10-bromo-3,6,7,8,9,10-hexa…
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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)
|
3.40 |
6.96 |
-5 |
0 |
2 |
0 |
18 |
283.165 |
0 |
↓
|
|