|
Analogs
-
14533785
-
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
2.69 |
8.48 |
-13.86 |
2 |
9 |
0 |
104 |
440.5 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
2.69 |
8.74 |
-38.68 |
3 |
9 |
1 |
105 |
441.508 |
10 |
↓
|
|
|
Analogs
-
14531946
-
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
1.91 |
5.3 |
-11.14 |
2 |
8 |
0 |
94 |
348.403 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
1.91 |
5.56 |
-32.96 |
3 |
8 |
1 |
96 |
349.411 |
8 |
↓
|
|
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
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 |
7.89 |
-21.25 |
3 |
10 |
0 |
124 |
498.58 |
14 |
↓
|
Lo
Low (pH 4.5-6)
|
2.95 |
8.15 |
-48.23 |
4 |
10 |
1 |
125 |
499.588 |
14 |
↓
|
|
|
Analogs
-
14532048
-
-
14539652
-
-
14539653
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
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)
|
2.46 |
8.88 |
-18.17 |
2 |
8 |
0 |
94 |
440.475 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
2.46 |
9.14 |
-42.54 |
3 |
8 |
1 |
96 |
441.483 |
8 |
↓
|
|
|
Analogs
-
14539652
-
-
14539653
-
-
14532047
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
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)
|
2.46 |
9.63 |
-17.07 |
2 |
8 |
0 |
94 |
440.475 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
2.46 |
9.9 |
-46.49 |
3 |
8 |
1 |
96 |
441.483 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 1 More
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)
|
3.56 |
10.9 |
-15.54 |
2 |
9 |
0 |
111 |
475.549 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
3.56 |
11.15 |
-43.21 |
3 |
9 |
1 |
113 |
476.557 |
10 |
↓
|
|
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
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)
|
3.80 |
10.91 |
-17.73 |
2 |
8 |
0 |
94 |
474.508 |
11 |
↓
|
Lo
Low (pH 4.5-6)
|
3.80 |
11.18 |
-49.21 |
3 |
8 |
1 |
96 |
475.516 |
11 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
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)
|
4.98 |
12.72 |
-16.37 |
2 |
8 |
0 |
94 |
518.589 |
11 |
↓
|
Lo
Low (pH 4.5-6)
|
4.98 |
13.06 |
-42.34 |
3 |
8 |
1 |
96 |
519.597 |
11 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
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)
|
2.78 |
7.92 |
-11.53 |
2 |
8 |
0 |
94 |
388.468 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
2.78 |
8.18 |
-34.21 |
3 |
8 |
1 |
96 |
389.476 |
8 |
↓
|
|
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
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)
|
1.54 |
8.72 |
-16.94 |
2 |
10 |
0 |
112 |
448.483 |
9 |
↓
|
Lo
Low (pH 4.5-6)
|
1.54 |
8.99 |
-42.18 |
3 |
10 |
1 |
114 |
449.491 |
9 |
↓
|
|
|
|
|
|
|
|
|
Analogs
-
14532194
-
-
14532195
-
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
3.65 |
8.77 |
-12.89 |
3 |
9 |
0 |
115 |
480.565 |
9 |
↓
|
Lo
Low (pH 4.5-6)
|
3.65 |
9.05 |
-37.79 |
4 |
9 |
1 |
116 |
481.573 |
9 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
4.50 |
11.59 |
-15.86 |
2 |
7 |
0 |
85 |
476.499 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
4.50 |
11.86 |
-46.88 |
3 |
7 |
1 |
87 |
477.507 |
10 |
↓
|
|
|
Analogs
-
14532250
-
-
14532251
-
-
14532252
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
2.55 |
4.72 |
-11.46 |
3 |
9 |
0 |
115 |
418.494 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
2.55 |
4.99 |
-34.82 |
4 |
9 |
1 |
116 |
419.502 |
8 |
↓
|
|
|
Analogs
-
14532251
-
-
14532252
-
-
14532249
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
2.55 |
4.47 |
-11.49 |
3 |
9 |
0 |
115 |
418.494 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
2.55 |
4.75 |
-33.01 |
4 |
9 |
1 |
116 |
419.502 |
8 |
↓
|
|
|
Analogs
-
14532252
-
-
14532249
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
2.55 |
4.53 |
-11.28 |
3 |
9 |
0 |
115 |
418.494 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
2.55 |
4.81 |
-34.74 |
4 |
9 |
1 |
116 |
419.502 |
8 |
↓
|
|
|
Analogs
-
14532249
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
2.55 |
4.8 |
-12.71 |
3 |
9 |
0 |
115 |
418.494 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
2.55 |
5.07 |
-39.29 |
4 |
9 |
1 |
116 |
419.502 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
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)
|
3.02 |
8.74 |
-13.22 |
2 |
8 |
0 |
98 |
422.416 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
3.02 |
8.99 |
-40.11 |
3 |
8 |
1 |
100 |
423.424 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
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)
|
3.23 |
9.44 |
-13.6 |
2 |
8 |
0 |
98 |
423.517 |
9 |
↓
|
Lo
Low (pH 4.5-6)
|
3.23 |
9.77 |
-39.22 |
3 |
8 |
1 |
99 |
424.525 |
9 |
↓
|
|
|
Analogs
-
14532311
-
-
14532312
-
-
14532313
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
2.27 |
8.37 |
-18.74 |
2 |
10 |
0 |
112 |
454.531 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
2.27 |
8.64 |
-41.83 |
3 |
10 |
1 |
114 |
455.539 |
10 |
↓
|
|
|
Analogs
-
14532312
-
-
14532313
-
-
14532310
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
2.27 |
8.37 |
-19.48 |
2 |
10 |
0 |
112 |
454.531 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
2.27 |
8.64 |
-42.75 |
3 |
10 |
1 |
114 |
455.539 |
10 |
↓
|
|
|
Analogs
-
14532313
-
-
14532310
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
2.27 |
9.1 |
-20.54 |
2 |
10 |
0 |
112 |
454.531 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
2.27 |
9.38 |
-49.46 |
3 |
10 |
1 |
114 |
455.539 |
10 |
↓
|
|
|
Analogs
-
14532310
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
2.27 |
9.11 |
-20.49 |
2 |
10 |
0 |
112 |
454.531 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
2.27 |
9.38 |
-49.45 |
3 |
10 |
1 |
114 |
455.539 |
10 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
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)
|
4.51 |
12.27 |
-18.45 |
2 |
10 |
0 |
115 |
519.602 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
4.51 |
12.55 |
-50.27 |
3 |
10 |
1 |
116 |
520.61 |
10 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
3.97 |
11.99 |
-11.34 |
2 |
8 |
0 |
94 |
478.593 |
13 |
↓
|
Lo
Low (pH 4.5-6)
|
3.97 |
12.26 |
-36.44 |
3 |
8 |
1 |
96 |
479.601 |
13 |
↓
|
|
|
Analogs
-
14535732
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
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 |
9.06 |
-10.49 |
2 |
8 |
0 |
94 |
424.501 |
11 |
↓
|
Lo
Low (pH 4.5-6)
|
3.18 |
9.32 |
-32.48 |
3 |
8 |
1 |
96 |
425.509 |
11 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
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)
|
4.21 |
12.35 |
-15.6 |
2 |
8 |
0 |
94 |
486.572 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
4.21 |
12.61 |
-46.61 |
3 |
8 |
1 |
96 |
487.58 |
10 |
↓
|
|
|
Analogs
-
14532415
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
4.42 |
10.3 |
-15.1 |
3 |
8 |
0 |
105 |
464.566 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
4.42 |
10.59 |
-38.63 |
4 |
8 |
1 |
107 |
465.574 |
10 |
↓
|
|
|
Analogs
-
14532414
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
4.42 |
10.07 |
-10.89 |
3 |
8 |
0 |
105 |
464.566 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
4.42 |
10.35 |
-32.45 |
4 |
8 |
1 |
107 |
465.574 |
10 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
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)
|
4.27 |
11.4 |
-11.78 |
2 |
9 |
0 |
104 |
516.598 |
13 |
↓
|
Lo
Low (pH 4.5-6)
|
4.27 |
11.65 |
-38.09 |
3 |
9 |
1 |
105 |
517.606 |
13 |
↓
|
|
|
Analogs
-
14532448
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
5.58 |
12.26 |
-16.61 |
2 |
8 |
0 |
94 |
480.609 |
12 |
↓
|
Lo
Low (pH 4.5-6)
|
5.58 |
12.53 |
-43.62 |
3 |
8 |
1 |
96 |
481.617 |
12 |
↓
|
|
|
Analogs
-
14532447
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
5.58 |
12.27 |
-16.4 |
2 |
8 |
0 |
94 |
480.609 |
12 |
↓
|
Lo
Low (pH 4.5-6)
|
5.58 |
12.52 |
-43.45 |
3 |
8 |
1 |
96 |
481.617 |
12 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
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)
|
3.91 |
11.68 |
-13.94 |
2 |
8 |
0 |
98 |
471.561 |
9 |
↓
|
Lo
Low (pH 4.5-6)
|
3.91 |
12 |
-41.97 |
3 |
8 |
1 |
99 |
472.569 |
9 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
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)
|
2.80 |
6.32 |
-10.81 |
2 |
9 |
0 |
108 |
400.435 |
9 |
↓
|
Lo
Low (pH 4.5-6)
|
2.80 |
6.6 |
-32.64 |
3 |
9 |
1 |
109 |
401.443 |
9 |
↓
|
|