|
Analogs
-
11535882
-
-
196092
-
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)
|
1.13 |
3.59 |
-11.8 |
2 |
4 |
0 |
54 |
225.251 |
1 |
↓
|
|
|
Analogs
-
196092
-
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)
|
1.13 |
3.58 |
-11.79 |
2 |
4 |
0 |
54 |
225.251 |
1 |
↓
|
|
|
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)
|
0.89 |
5.49 |
-11.96 |
1 |
5 |
0 |
54 |
283.331 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
0.89 |
5.97 |
-41.65 |
2 |
5 |
1 |
56 |
284.339 |
4 |
↓
|
|
|
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)
|
0.89 |
5.5 |
-16.12 |
1 |
5 |
0 |
54 |
283.331 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
0.89 |
6.01 |
-47.29 |
2 |
5 |
1 |
56 |
284.339 |
4 |
↓
|
|
|
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)
|
1.58 |
6.44 |
-13.66 |
1 |
4 |
0 |
45 |
267.332 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
1.58 |
6.95 |
-44.26 |
2 |
4 |
1 |
46 |
268.34 |
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)
|
1.58 |
6.42 |
-13.72 |
1 |
4 |
0 |
45 |
267.332 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
1.58 |
6.95 |
-44.22 |
2 |
4 |
1 |
46 |
268.34 |
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)
|
1.16 |
6.18 |
-14.61 |
1 |
5 |
0 |
54 |
297.358 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.16 |
6.65 |
-46.54 |
2 |
5 |
1 |
56 |
298.366 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245
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)
|
1.16 |
6.24 |
-13.14 |
1 |
5 |
0 |
54 |
297.358 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
1.16 |
6.7 |
-46.95 |
2 |
5 |
1 |
56 |
298.366 |
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)
|
2.35 |
7.89 |
-13.42 |
1 |
4 |
0 |
45 |
281.359 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
2.35 |
8.36 |
-44.63 |
2 |
4 |
1 |
46 |
282.367 |
4 |
↓
|
|
|
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)
|
2.35 |
7.95 |
-11.53 |
1 |
4 |
0 |
45 |
281.359 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
2.35 |
8.41 |
-44.84 |
2 |
4 |
1 |
46 |
282.367 |
4 |
↓
|
|
|
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)
|
1.94 |
6.86 |
-14.3 |
1 |
4 |
0 |
45 |
287.75 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
1.94 |
7.33 |
-47.02 |
2 |
4 |
1 |
46 |
288.758 |
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)
|
1.94 |
6.92 |
-12.18 |
1 |
4 |
0 |
45 |
287.75 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
1.94 |
7.37 |
-47.23 |
2 |
4 |
1 |
46 |
288.758 |
2 |
↓
|
|
|
Analogs
-
41863759
-
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)
|
1.55 |
6.92 |
-13.24 |
1 |
4 |
0 |
45 |
265.316 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
1.55 |
7.37 |
-44.38 |
2 |
4 |
1 |
46 |
266.324 |
3 |
↓
|
|
|
Analogs
-
41863758
-
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)
|
1.55 |
6.11 |
-11.89 |
1 |
4 |
0 |
45 |
265.316 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
1.55 |
6.57 |
-46.67 |
2 |
4 |
1 |
46 |
266.324 |
3 |
↓
|
|