|
|
|
|
|
Analogs
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)
|
5.33 |
10.62 |
-10.67 |
2 |
5 |
0 |
69 |
474.358 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
5.33 |
11.39 |
-49.74 |
1 |
5 |
-1 |
72 |
473.35 |
5 |
↓
|
|
|
Analogs
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)
|
5.33 |
11.02 |
-10.67 |
2 |
5 |
0 |
69 |
474.358 |
5 |
↓
|
Ref
Reference (pH 7)
|
5.33 |
11.15 |
-11.9 |
2 |
5 |
0 |
69 |
474.358 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
5.33 |
11.92 |
-43.64 |
1 |
5 |
-1 |
72 |
473.35 |
5 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
-
8606549
-
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)
|
5.63 |
11.98 |
-17.06 |
2 |
7 |
0 |
88 |
497.595 |
10 |
↓
|
Mid
Mid (pH 6-8)
|
5.63 |
12.74 |
-55.99 |
1 |
7 |
-1 |
91 |
496.587 |
10 |
↓
|
|
|
Analogs
-
8606549
-
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)
|
5.63 |
11.69 |
-16.04 |
2 |
7 |
0 |
88 |
497.595 |
10 |
↓
|
Mid
Mid (pH 6-8)
|
5.63 |
12.46 |
-55.82 |
1 |
7 |
-1 |
91 |
496.587 |
10 |
↓
|
|
|
Analogs
-
39912606
-
-
39912607
-
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)
|
6.55 |
12.85 |
-13.42 |
2 |
6 |
0 |
78 |
481.596 |
10 |
↓
|
Mid
Mid (pH 6-8)
|
6.55 |
13.62 |
-52.77 |
1 |
6 |
-1 |
81 |
480.588 |
10 |
↓
|
|
|
Analogs
-
39912606
-
-
39912607
-
-
8845298
-
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)
|
6.55 |
12.57 |
-13.93 |
2 |
6 |
0 |
78 |
481.596 |
10 |
↓
|
Mid
Mid (pH 6-8)
|
6.55 |
13.33 |
-53.74 |
1 |
6 |
-1 |
81 |
480.588 |
10 |
↓
|
|
|
Analogs
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)
|
6.28 |
12.85 |
-11.87 |
2 |
6 |
0 |
78 |
487.559 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
6.28 |
13.62 |
-52.09 |
1 |
6 |
-1 |
81 |
486.551 |
7 |
↓
|
|
|
|
|
Analogs
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)
|
6.28 |
13.32 |
-11.93 |
2 |
6 |
0 |
78 |
487.559 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
6.28 |
14.09 |
-52.58 |
1 |
6 |
-1 |
81 |
486.551 |
7 |
↓
|
|
|
Analogs
-
5343821
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 8 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)
|
4.71 |
10.06 |
-13.73 |
2 |
5 |
0 |
69 |
413.452 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
4.69 |
10.72 |
-51.01 |
0 |
5 |
-1 |
68 |
412.444 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
4.69 |
10.67 |
-57.47 |
0 |
5 |
-1 |
68 |
412.444 |
5 |
↓
|
|
|
Analogs
-
6752873
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 8 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)
|
4.71 |
10.47 |
-13.54 |
2 |
5 |
0 |
69 |
413.452 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
4.69 |
10.71 |
-57.52 |
0 |
5 |
-1 |
68 |
412.444 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
4.69 |
10.92 |
-43.58 |
0 |
5 |
-1 |
68 |
412.444 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 5 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)
|
4.96 |
10.51 |
-11.75 |
2 |
6 |
0 |
78 |
439.515 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.96 |
11.28 |
-51.6 |
1 |
6 |
-1 |
81 |
438.507 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 5 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)
|
4.96 |
10.2 |
-11.27 |
2 |
6 |
0 |
78 |
439.515 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.96 |
10.97 |
-51.47 |
1 |
6 |
-1 |
81 |
438.507 |
7 |
↓
|
|
|
Analogs
-
39912604
-
-
39912605
-
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)
|
5.48 |
11.29 |
-13.54 |
2 |
6 |
0 |
78 |
453.542 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
5.48 |
12.06 |
-52.91 |
1 |
6 |
-1 |
81 |
452.534 |
8 |
↓
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 8 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)
|
3.83 |
9.43 |
-61.14 |
0 |
8 |
-1 |
97 |
494.564 |
11 |
↓
|
Mid
Mid (pH 6-8)
|
4.27 |
8.69 |
-27.19 |
1 |
8 |
0 |
95 |
495.572 |
10 |
↓
|
Mid
Mid (pH 6-8)
|
3.24 |
-0.63 |
-21.74 |
0 |
8 |
0 |
91 |
495.572 |
11 |
↓
|
|
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 6 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)
|
4.90 |
13.23 |
-18.96 |
0 |
7 |
0 |
74 |
483.578 |
5 |
↓
|
|
|
|
|
Analogs
-
2263950
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 6 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)
|
5.17 |
13.32 |
-19.51 |
0 |
8 |
0 |
84 |
507.575 |
6 |
↓
|
|
|
Analogs
-
34932204
-
-
34932206
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 7 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)
|
4.85 |
13.81 |
-51.53 |
0 |
6 |
-1 |
83 |
482.487 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
5.30 |
11.99 |
-28.03 |
1 |
6 |
0 |
80 |
483.495 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.26 |
12.99 |
-18.44 |
0 |
6 |
0 |
77 |
483.495 |
8 |
↓
|
|
|
Analogs
-
13749126
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 7 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)
|
4.19 |
1.03 |
-20.57 |
0 |
7 |
0 |
74 |
423.494 |
7 |
↓
|
|
|
Analogs
-
34932204
-
-
34932206
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 7 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)
|
4.85 |
13.77 |
-54.58 |
0 |
6 |
-1 |
83 |
482.487 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
5.30 |
11.57 |
-29.75 |
1 |
6 |
0 |
80 |
483.495 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.26 |
12.61 |
-22.36 |
0 |
6 |
0 |
77 |
483.495 |
8 |
↓
|
|
|
|
|
Analogs
-
27022436
-
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)
|
3.86 |
10.19 |
-16.13 |
0 |
5 |
0 |
60 |
335.388 |
3 |
↓
|
|
|
Analogs
-
9282037
-
-
27021631
-
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)
|
4.64 |
1.17 |
-15.3 |
0 |
6 |
0 |
65 |
405.479 |
5 |
↓
|
|
|
|
|
Analogs
-
5215310
-
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)
|
5.19 |
12.72 |
-16.25 |
0 |
5 |
0 |
57 |
401.491 |
5 |
↓
|
|
|
|
|
Analogs
-
16779400
-
-
27021535
-
-
16735265
-
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)
|
5.89 |
12.63 |
-11.87 |
0 |
4 |
0 |
47 |
414.317 |
3 |
↓
|
|
|
Analogs
-
16735845
-
-
27021637
-
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)
|
5.84 |
14.95 |
-18.49 |
0 |
6 |
0 |
66 |
481.577 |
7 |
↓
|
|
|
|
|
|
|
Analogs
-
40175358
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 36 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)
|
2.41 |
4.74 |
-8.08 |
0 |
3 |
0 |
39 |
190.198 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
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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)
|
5.92 |
11.71 |
-13.01 |
1 |
5 |
0 |
75 |
491.922 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
5.92 |
11.88 |
-47.75 |
2 |
5 |
1 |
76 |
492.93 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
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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)
|
5.95 |
11.6 |
-16.87 |
1 |
5 |
0 |
75 |
491.922 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
5.95 |
11.77 |
-53.92 |
2 |
5 |
1 |
76 |
492.93 |
8 |
↓
|
|
|
Analogs
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)
|
7.01 |
13.18 |
-16.6 |
1 |
5 |
0 |
75 |
519.976 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
7.01 |
13.35 |
-53.97 |
2 |
5 |
1 |
76 |
520.984 |
10 |
↓
|
|
|
Analogs
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)
|
5.27 |
10.56 |
-10.97 |
1 |
4 |
0 |
66 |
453.898 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
5.27 |
10.82 |
-44.49 |
2 |
4 |
1 |
67 |
454.906 |
6 |
↓
|
|
|
Analogs
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)
|
5.57 |
10.67 |
-17.09 |
1 |
5 |
0 |
75 |
477.895 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
5.57 |
10.84 |
-53.98 |
2 |
5 |
1 |
76 |
478.903 |
7 |
↓
|
|
|
Analogs
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)
|
6.99 |
13.29 |
-12.76 |
1 |
5 |
0 |
75 |
519.976 |
10 |
↓
|
Lo
Low (pH 4.5-6)
|
6.99 |
13.47 |
-47.76 |
2 |
5 |
1 |
76 |
520.984 |
10 |
↓
|
|
|
Analogs
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)
|
5.74 |
1.13 |
-16.9 |
0 |
6 |
0 |
65 |
455.967 |
7 |
↓
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 5 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)
|
7.49 |
1.54 |
-13.9 |
1 |
5 |
0 |
67 |
468.022 |
4 |
↓
|
|