|
Analogs
Draw
Identity
99%
90%
80%
70%
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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)
|
3.72 |
8.01 |
-10.03 |
2 |
5 |
0 |
101 |
343.434 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
3.72 |
7.85 |
-47.77 |
3 |
5 |
1 |
102 |
344.442 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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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)
|
3.72 |
8.44 |
-8.41 |
2 |
5 |
0 |
101 |
343.434 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
3.72 |
8.26 |
-48.53 |
3 |
5 |
1 |
102 |
344.442 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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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)
|
3.72 |
8.44 |
-8.42 |
2 |
5 |
0 |
101 |
343.434 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
3.72 |
8.28 |
-48.58 |
3 |
5 |
1 |
102 |
344.442 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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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)
|
3.72 |
8.05 |
-10.11 |
2 |
5 |
0 |
101 |
343.434 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
3.72 |
7.88 |
-47.91 |
3 |
5 |
1 |
102 |
344.442 |
2 |
↓
|
|
|
|
|
|
|
Analogs
-
22061216
-
-
22061219
-
-
22065949
-
-
22065952
-
-
35878852
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
[(1R,3S,7R,8R,8aS)-3-hydroxy-8-[2-[(2R,4S)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,
[(1R,3S,7R,8R,8aS)-3-hydroxy-8-[…
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)
|
2.95 |
7.21 |
-10.31 |
2 |
6 |
0 |
93 |
406.519 |
7 |
↓
|
|
|
Analogs
-
22061216
-
-
22061219
-
-
22065949
-
-
22065952
-
-
35878852
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
[(1R,3S,7R,8R,8aS)-3-hydroxy-8-[2-[(2R,4S)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,
[(1R,3S,7R,8R,8aS)-3-hydroxy-8-[…
Find On:
PubMed —
Wikipedia —
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)
|
2.95 |
7.3 |
-10.9 |
2 |
6 |
0 |
93 |
406.519 |
7 |
↓
|
|
|
Analogs
-
22061216
-
-
22061219
-
-
22065949
-
-
22065952
-
-
35878852
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
[(1S,3S,7R,8R,8aS)-3-hydroxy-8-[2-[(2R,4S)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,
[(1S,3S,7R,8R,8aS)-3-hydroxy-8-[…
Find On:
PubMed —
Wikipedia —
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)
|
2.95 |
7.46 |
-15.55 |
2 |
6 |
0 |
93 |
406.519 |
7 |
↓
|
|
|
Analogs
-
22061216
-
-
22061219
-
-
22065949
-
-
22065952
-
-
35878852
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
[(1S,3S,7R,8R,8aS)-3-hydroxy-8-[2-[(2R,4S)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,
[(1S,3S,7R,8R,8aS)-3-hydroxy-8-[…
Find On:
PubMed —
Wikipedia —
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)
|
2.95 |
7.45 |
-15.63 |
2 |
6 |
0 |
93 |
406.519 |
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)
|
3.98 |
10.87 |
-17.39 |
2 |
10 |
0 |
170 |
483.532 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.98 |
10.7 |
-60.16 |
3 |
10 |
1 |
172 |
484.54 |
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)
|
3.98 |
10.48 |
-16.39 |
2 |
10 |
0 |
170 |
483.532 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.98 |
10.39 |
-60.38 |
3 |
10 |
1 |
172 |
484.54 |
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)
|
3.98 |
10.47 |
-20.17 |
2 |
10 |
0 |
170 |
483.532 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.98 |
10.32 |
-60.05 |
3 |
10 |
1 |
172 |
484.54 |
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)
|
3.98 |
10.84 |
-16.3 |
2 |
10 |
0 |
170 |
483.532 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.98 |
10.66 |
-61.35 |
3 |
10 |
1 |
172 |
484.54 |
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)
|
4.90 |
10.6 |
-8.14 |
2 |
4 |
0 |
97 |
362.502 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
[(1R,2S,3S,7S,8S,8aR)-2-(1-hydroxyethyl)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3
[(1R,2S,3S,7S,8S,8aR)-2-(1-hydro…
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)
|
4.18 |
9.11 |
-12.93 |
2 |
6 |
0 |
93 |
448.6 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
[(1R,2S,3S,7S,8S,8aR)-2-(1-hydroxyethyl)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3
[(1R,2S,3S,7S,8S,8aR)-2-(1-hydro…
Find On:
PubMed —
Wikipedia —
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)
|
4.18 |
9.68 |
-14.11 |
2 |
6 |
0 |
93 |
448.6 |
8 |
↓
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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)
|
5.08 |
9.35 |
-14.55 |
2 |
6 |
0 |
116 |
467.367 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
5.08 |
9.19 |
-50.59 |
3 |
6 |
1 |
117 |
468.375 |
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)
|
5.08 |
9.76 |
-10.36 |
2 |
6 |
0 |
116 |
467.367 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
5.08 |
9.59 |
-54.28 |
3 |
6 |
1 |
117 |
468.375 |
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)
|
6.04 |
11.45 |
-10.13 |
2 |
6 |
0 |
116 |
515.411 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
6.04 |
11.26 |
-50.05 |
3 |
6 |
1 |
117 |
516.419 |
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)
|
6.04 |
10.99 |
-12.74 |
2 |
6 |
0 |
116 |
515.411 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
6.04 |
10.84 |
-48.68 |
3 |
6 |
1 |
117 |
516.419 |
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)
|
6.04 |
11.04 |
-10.47 |
2 |
6 |
0 |
116 |
515.411 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
6.04 |
10.88 |
-51.84 |
3 |
6 |
1 |
117 |
516.419 |
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)
|
6.04 |
11.45 |
-10.26 |
2 |
6 |
0 |
116 |
515.411 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
6.04 |
11.28 |
-51.73 |
3 |
6 |
1 |
117 |
516.419 |
5 |
↓
|
|