|
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)
|
4.73 |
10.83 |
-50.89 |
1 |
6 |
0 |
60 |
445.539 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
4.73 |
10.73 |
-11.56 |
0 |
6 |
0 |
59 |
444.531 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
4.73 |
13.7 |
-111.3 |
2 |
6 |
0 |
61 |
446.547 |
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)
|
4.04 |
8.51 |
-10.72 |
0 |
5 |
0 |
56 |
391.398 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.04 |
11.37 |
-50.13 |
1 |
5 |
1 |
57 |
392.406 |
3 |
↓
|
|
|
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)
|
4.56 |
8.96 |
-10.16 |
0 |
5 |
0 |
56 |
407.853 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.56 |
11.82 |
-49.72 |
1 |
5 |
1 |
57 |
408.861 |
3 |
↓
|
|
|
Analogs
-
41587345
-
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)
|
5.16 |
9.39 |
-8.87 |
0 |
5 |
0 |
56 |
442.298 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
5.16 |
12.25 |
-49.57 |
1 |
5 |
1 |
57 |
443.306 |
3 |
↓
|
|
|
Analogs
-
41587345
-
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)
|
4.51 |
8.88 |
-10.4 |
0 |
5 |
0 |
56 |
407.853 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.51 |
11.74 |
-50.24 |
1 |
5 |
1 |
57 |
408.861 |
3 |
↓
|
|
|
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)
|
4.00 |
8.5 |
-10.91 |
0 |
5 |
0 |
56 |
391.398 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.00 |
11.36 |
-50.73 |
1 |
5 |
1 |
57 |
392.406 |
3 |
↓
|
|
|
Analogs
-
41587163
-
-
41587425
-
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)
|
3.89 |
7.82 |
-11.97 |
0 |
6 |
0 |
65 |
403.434 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.89 |
10.68 |
-50.74 |
1 |
6 |
1 |
66 |
404.442 |
4 |
↓
|
|
|
Analogs
-
57160257
-
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)
|
3.51 |
7.53 |
-14.54 |
0 |
8 |
0 |
84 |
463.486 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
3.51 |
10.38 |
-55.5 |
1 |
8 |
1 |
85 |
464.494 |
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)
|
4.63 |
8.94 |
-12 |
0 |
5 |
0 |
56 |
425.843 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.63 |
11.8 |
-51.24 |
1 |
5 |
1 |
57 |
426.851 |
3 |
↓
|
|
|
Analogs
-
41587425
-
-
41586960
-
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)
|
3.92 |
7.13 |
-12.36 |
0 |
7 |
0 |
74 |
433.46 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.92 |
9.98 |
-51.49 |
1 |
7 |
1 |
75 |
434.468 |
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)
|
3.92 |
7.1 |
-13.34 |
0 |
7 |
0 |
74 |
433.46 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.92 |
9.96 |
-51.76 |
1 |
7 |
1 |
75 |
434.468 |
5 |
↓
|
|
|
Analogs
-
41588151
-
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)
|
5.39 |
10.35 |
-10.28 |
0 |
5 |
0 |
56 |
415.489 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
5.39 |
13.22 |
-49.18 |
1 |
5 |
1 |
57 |
416.497 |
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)
|
3.82 |
9.14 |
-12.77 |
0 |
8 |
0 |
102 |
418.405 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.82 |
12 |
-54.21 |
1 |
8 |
1 |
103 |
419.413 |
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)
|
4.05 |
9.1 |
-12.94 |
0 |
7 |
0 |
82 |
431.444 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
4.05 |
11.95 |
-53.4 |
1 |
7 |
1 |
83 |
432.452 |
5 |
↓
|
|
|
Analogs
-
41586852
-
-
41586892
-
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)
|
5.14 |
9.32 |
-10.95 |
0 |
5 |
0 |
56 |
442.298 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
5.14 |
12.18 |
-50 |
1 |
5 |
1 |
57 |
443.306 |
3 |
↓
|
|
|
|
|
Analogs
-
41586960
-
-
41587163
-
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)
|
4.26 |
8.74 |
-11.77 |
0 |
6 |
0 |
65 |
417.461 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
4.26 |
11.61 |
-50.6 |
1 |
6 |
1 |
66 |
418.469 |
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)
|
3.91 |
7.74 |
-12.71 |
0 |
6 |
0 |
65 |
403.434 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.91 |
10.6 |
-51.17 |
1 |
6 |
1 |
66 |
404.442 |
4 |
↓
|
|
|
|
|
Analogs
-
41588493
-
-
54333090
-
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)
|
3.51 |
7.02 |
-14.49 |
0 |
8 |
0 |
84 |
463.486 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
3.51 |
9.87 |
-53.76 |
1 |
8 |
1 |
85 |
464.494 |
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)
|
4.67 |
8.43 |
-11.54 |
0 |
6 |
0 |
65 |
482.33 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
4.67 |
11.3 |
-50.24 |
1 |
6 |
1 |
66 |
483.338 |
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)
|
4.64 |
8.97 |
-10.26 |
0 |
5 |
0 |
56 |
452.304 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.64 |
11.83 |
-50.36 |
1 |
5 |
1 |
57 |
453.312 |
3 |
↓
|
|
|
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)
|
4.02 |
8.5 |
-10.24 |
0 |
5 |
0 |
56 |
391.398 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.02 |
11.37 |
-50.34 |
1 |
5 |
1 |
57 |
392.406 |
3 |
↓
|
|
|
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)
|
4.53 |
8.96 |
-9.82 |
0 |
5 |
0 |
56 |
407.853 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.53 |
11.82 |
-49.79 |
1 |
5 |
1 |
57 |
408.861 |
3 |
↓
|
|
|
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)
|
4.66 |
9.06 |
-9.77 |
0 |
5 |
0 |
56 |
452.304 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.66 |
11.92 |
-49.72 |
1 |
5 |
1 |
57 |
453.312 |
3 |
↓
|
|
|
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)
|
4.30 |
9.09 |
-10.5 |
0 |
5 |
0 |
56 |
387.435 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.30 |
11.97 |
-49.58 |
1 |
5 |
1 |
57 |
388.443 |
3 |
↓
|
|
|
Analogs
-
41658676
-
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)
|
4.28 |
9 |
-10.58 |
0 |
5 |
0 |
56 |
387.435 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.28 |
11.86 |
-49.67 |
1 |
5 |
1 |
57 |
388.443 |
3 |
↓
|
|
|
|
|
Analogs
-
41587230
-
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)
|
5.59 |
10.76 |
-10.3 |
0 |
5 |
0 |
56 |
429.516 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
5.59 |
13.62 |
-49.14 |
1 |
5 |
1 |
57 |
430.524 |
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)
|
3.84 |
9.15 |
-13.4 |
0 |
8 |
0 |
102 |
418.405 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.84 |
12.01 |
-54.3 |
1 |
8 |
1 |
103 |
419.413 |
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)
|
4.69 |
9.06 |
-10.12 |
0 |
5 |
0 |
56 |
452.304 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
4.69 |
11.93 |
-49.68 |
1 |
5 |
1 |
57 |
453.312 |
3 |
↓
|
|
|
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)
|
5.16 |
9.41 |
-11.39 |
0 |
5 |
0 |
56 |
442.298 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
5.16 |
12.28 |
-50.57 |
1 |
5 |
1 |
57 |
443.306 |
3 |
↓
|
|
|
Analogs
-
41587594
-
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)
|
3.71 |
7.77 |
-13.03 |
0 |
8 |
0 |
84 |
463.486 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
3.71 |
10.64 |
-53.72 |
1 |
8 |
1 |
85 |
464.494 |
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)
|
3.98 |
8.87 |
-12.01 |
0 |
6 |
0 |
59 |
416.477 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.98 |
11.7 |
-49.96 |
1 |
6 |
1 |
60 |
417.485 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
3.98 |
12.47 |
-111.03 |
2 |
6 |
0 |
61 |
418.493 |
4 |
↓
|
|