|
Analogs
-
38735530
-
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)
|
3.54 |
11.61 |
-25.63 |
1 |
6 |
0 |
67 |
432.549 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.54 |
12.05 |
-41.75 |
2 |
6 |
1 |
68 |
433.557 |
4 |
↓
|
|
|
Analogs
-
38735528
-
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)
|
3.54 |
11.64 |
-32.09 |
1 |
6 |
0 |
67 |
432.549 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.54 |
12.08 |
-44.89 |
2 |
6 |
1 |
68 |
433.557 |
4 |
↓
|
|
|
Analogs
-
38735648
-
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)
|
3.50 |
11.01 |
-24.31 |
1 |
6 |
0 |
67 |
483.391 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.50 |
11.45 |
-40.22 |
2 |
6 |
1 |
68 |
484.399 |
4 |
↓
|
|
|
Analogs
-
38735646
-
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)
|
3.50 |
11.04 |
-30.07 |
1 |
6 |
0 |
67 |
483.391 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.50 |
11.48 |
-43.18 |
2 |
6 |
1 |
68 |
484.399 |
4 |
↓
|
|
|
|
|
|
|
Analogs
-
38735674
-
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)
|
2.75 |
9.67 |
-28.4 |
1 |
7 |
0 |
76 |
434.521 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.75 |
10.11 |
-44.68 |
2 |
7 |
1 |
78 |
435.529 |
5 |
↓
|
|
|
Analogs
-
38735672
-
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)
|
2.75 |
9.71 |
-35.06 |
1 |
7 |
0 |
76 |
434.521 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.75 |
10.16 |
-47.79 |
2 |
7 |
1 |
78 |
435.529 |
5 |
↓
|
|
|
Analogs
-
38735678
-
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)
|
2.77 |
9.67 |
-26.11 |
1 |
7 |
0 |
76 |
434.521 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.77 |
10.11 |
-42.3 |
2 |
7 |
1 |
78 |
435.529 |
5 |
↓
|
|
|
Analogs
-
38735676
-
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)
|
2.77 |
9.71 |
-32.16 |
1 |
7 |
0 |
76 |
434.521 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.77 |
10.15 |
-45.26 |
2 |
7 |
1 |
78 |
435.529 |
5 |
↓
|
|
|
Analogs
-
38735682
-
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)
|
2.88 |
10.46 |
-24.98 |
1 |
6 |
0 |
67 |
422.485 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
2.88 |
10.9 |
-41.65 |
2 |
6 |
1 |
68 |
423.493 |
4 |
↓
|
|
|
Analogs
-
38735680
-
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)
|
2.88 |
10.52 |
-31.3 |
1 |
6 |
0 |
67 |
422.485 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
2.88 |
10.96 |
-44.55 |
2 |
6 |
1 |
68 |
423.493 |
4 |
↓
|
|
|
Analogs
-
38735686
-
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)
|
3.39 |
10.91 |
-24.51 |
1 |
6 |
0 |
67 |
438.94 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.39 |
11.35 |
-41.04 |
2 |
6 |
1 |
68 |
439.948 |
4 |
↓
|
|
|
Analogs
-
38735684
-
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)
|
3.39 |
10.97 |
-30.8 |
1 |
6 |
0 |
67 |
438.94 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.39 |
11.41 |
-43.98 |
2 |
6 |
1 |
68 |
439.948 |
4 |
↓
|
|
|
|
|
|