|
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)
|
5.78 |
12.62 |
-49.51 |
1 |
5 |
0 |
47 |
475.634 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
5.78 |
12.52 |
-9.84 |
0 |
5 |
0 |
46 |
474.626 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
5.78 |
15.52 |
-110.71 |
2 |
5 |
0 |
48 |
476.642 |
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)
|
5.09 |
10.3 |
-8.87 |
0 |
4 |
0 |
43 |
421.493 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.09 |
13.17 |
-52.47 |
1 |
4 |
1 |
44 |
422.501 |
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)
|
5.61 |
10.75 |
-8.43 |
0 |
4 |
0 |
43 |
437.948 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.61 |
13.62 |
-51.89 |
1 |
4 |
1 |
44 |
438.956 |
4 |
↓
|
|
|
Analogs
-
41587354
-
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)
|
6.21 |
11.18 |
-7.06 |
0 |
4 |
0 |
43 |
472.393 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
6.21 |
14.05 |
-52.02 |
1 |
4 |
1 |
44 |
473.401 |
4 |
↓
|
|
|
Analogs
-
41587354
-
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)
|
5.56 |
10.67 |
-8.65 |
0 |
4 |
0 |
43 |
437.948 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.56 |
13.55 |
-52.72 |
1 |
4 |
1 |
44 |
438.956 |
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)
|
5.04 |
10.29 |
-9.21 |
0 |
4 |
0 |
43 |
421.493 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.04 |
13.16 |
-53.25 |
1 |
4 |
1 |
44 |
422.501 |
4 |
↓
|
|
|
Analogs
-
41587167
-
-
41587434
-
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)
|
4.94 |
9.61 |
-10.23 |
0 |
5 |
0 |
52 |
433.529 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
4.94 |
12.49 |
-53.19 |
1 |
5 |
1 |
53 |
434.537 |
5 |
↓
|
|
|
Analogs
-
41587097
-
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)
|
4.57 |
9.47 |
-11.64 |
0 |
6 |
0 |
61 |
463.555 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
4.57 |
12.34 |
-55.69 |
1 |
6 |
1 |
62 |
464.563 |
6 |
↓
|
|
|
Analogs
-
41587062
-
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)
|
4.56 |
9.32 |
-12.78 |
0 |
7 |
0 |
70 |
493.581 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.56 |
12.18 |
-57.96 |
1 |
7 |
1 |
72 |
494.589 |
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)
|
5.67 |
10.73 |
-10.23 |
0 |
4 |
0 |
43 |
455.938 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.67 |
13.61 |
-53.56 |
1 |
4 |
1 |
44 |
456.946 |
4 |
↓
|
|
|
Analogs
-
41587434
-
-
41586964
-
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)
|
4.97 |
8.92 |
-10.62 |
0 |
6 |
0 |
61 |
463.555 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
4.97 |
11.79 |
-54.01 |
1 |
6 |
1 |
62 |
464.563 |
6 |
↓
|
|
|
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)
|
4.97 |
8.89 |
-11.51 |
0 |
6 |
0 |
61 |
463.555 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
4.97 |
11.77 |
-54.09 |
1 |
6 |
1 |
62 |
464.563 |
6 |
↓
|
|
|
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)
|
6.44 |
12.15 |
-8.48 |
0 |
4 |
0 |
43 |
445.584 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
6.44 |
15.01 |
-51.49 |
1 |
4 |
1 |
44 |
446.592 |
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)
|
4.86 |
10.93 |
-11.09 |
0 |
7 |
0 |
89 |
448.5 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
4.86 |
13.81 |
-56.7 |
1 |
7 |
1 |
90 |
449.508 |
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)
|
5.10 |
10.89 |
-11.13 |
0 |
6 |
0 |
69 |
461.539 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
5.10 |
13.76 |
-55.8 |
1 |
6 |
1 |
70 |
462.547 |
6 |
↓
|
|
|
Analogs
-
41586861
-
-
41586901
-
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)
|
6.19 |
11.11 |
-9.18 |
0 |
4 |
0 |
43 |
472.393 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
6.19 |
14 |
-52.41 |
1 |
4 |
1 |
44 |
473.401 |
4 |
↓
|
|
|
|
|
Analogs
-
41586964
-
-
41587167
-
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)
|
5.31 |
10.52 |
-10.1 |
0 |
5 |
0 |
52 |
447.556 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
5.31 |
13.42 |
-52.98 |
1 |
5 |
1 |
53 |
448.564 |
6 |
↓
|
|
|
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)
|
4.96 |
9.53 |
-10.81 |
0 |
5 |
0 |
52 |
433.529 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
4.96 |
12.4 |
-53.34 |
1 |
5 |
1 |
53 |
434.537 |
5 |
↓
|
|
|
|
|
Analogs
-
41588442
-
-
41588510
-
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)
|
4.56 |
8.81 |
-12.72 |
0 |
7 |
0 |
70 |
493.581 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.56 |
11.68 |
-56.32 |
1 |
7 |
1 |
72 |
494.589 |
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)
|
5.72 |
10.22 |
-9.64 |
0 |
5 |
0 |
52 |
512.425 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
5.72 |
13.1 |
-52.46 |
1 |
5 |
1 |
53 |
513.433 |
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)
|
5.69 |
10.76 |
-8.55 |
0 |
4 |
0 |
43 |
482.399 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.69 |
13.65 |
-52.84 |
1 |
4 |
1 |
44 |
483.407 |
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)
|
5.07 |
10.3 |
-8.42 |
0 |
4 |
0 |
43 |
421.493 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.07 |
13.17 |
-52.75 |
1 |
4 |
1 |
44 |
422.501 |
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)
|
5.58 |
10.75 |
-8.06 |
0 |
4 |
0 |
43 |
437.948 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.58 |
13.62 |
-52.16 |
1 |
4 |
1 |
44 |
438.956 |
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)
|
5.71 |
10.85 |
-7.98 |
0 |
4 |
0 |
43 |
482.399 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.71 |
13.73 |
-52.17 |
1 |
4 |
1 |
44 |
483.407 |
4 |
↓
|
|
|
|
|
Analogs
-
41658727
-
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)
|
5.33 |
10.78 |
-8.73 |
0 |
4 |
0 |
43 |
417.53 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.33 |
13.68 |
-51.93 |
1 |
4 |
1 |
44 |
418.538 |
4 |
↓
|
|
|
Analogs
-
41586752
-
-
41587394
-
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)
|
5.84 |
11.66 |
-8.61 |
0 |
4 |
0 |
43 |
431.557 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
5.84 |
14.56 |
-51.63 |
1 |
4 |
1 |
44 |
432.565 |
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)
|
6.63 |
12.55 |
-8.43 |
0 |
4 |
0 |
43 |
459.611 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
6.63 |
15.42 |
-51.48 |
1 |
4 |
1 |
44 |
460.619 |
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)
|
4.89 |
10.94 |
-11.52 |
0 |
7 |
0 |
89 |
448.5 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
4.89 |
13.82 |
-56.59 |
1 |
7 |
1 |
90 |
449.508 |
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)
|
5.74 |
10.85 |
-8.27 |
0 |
4 |
0 |
43 |
482.399 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.74 |
13.73 |
-51.97 |
1 |
4 |
1 |
44 |
483.407 |
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)
|
6.21 |
11.21 |
-9.43 |
0 |
4 |
0 |
43 |
472.393 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
6.21 |
14.08 |
-52.73 |
1 |
4 |
1 |
44 |
473.401 |
4 |
↓
|
|
|
Analogs
-
41587603
-
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)
|
4.75 |
9.6 |
-10.96 |
0 |
6 |
0 |
61 |
463.555 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
4.75 |
12.48 |
-55.38 |
1 |
6 |
1 |
62 |
464.563 |
6 |
↓
|
|
|
Analogs
-
41587603
-
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)
|
4.76 |
9.56 |
-11.37 |
0 |
7 |
0 |
70 |
493.581 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.76 |
12.44 |
-56.23 |
1 |
7 |
1 |
72 |
494.589 |
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)
|
5.03 |
10.61 |
-10.12 |
0 |
5 |
0 |
46 |
446.572 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
5.03 |
13.51 |
-52.25 |
1 |
5 |
1 |
47 |
447.58 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
5.03 |
14.26 |
-113.79 |
2 |
5 |
0 |
48 |
448.588 |
5 |
↓
|
|