|
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)
|
3.36 |
8.74 |
-46.93 |
2 |
3 |
1 |
38 |
303.332 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.36 |
7.33 |
-11.75 |
1 |
3 |
0 |
34 |
302.324 |
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)
|
3.36 |
1.28 |
-46.19 |
2 |
3 |
1 |
38 |
303.332 |
5 |
↓
|
|
|
Analogs
-
36145789
-
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)
|
4.21 |
11.61 |
-45.11 |
2 |
5 |
1 |
55 |
411.566 |
11 |
↓
|
|
|
Analogs
-
36145788
-
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)
|
4.21 |
10.93 |
-41.19 |
2 |
5 |
1 |
55 |
411.566 |
11 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
-
36145799
-
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)
|
4.87 |
12.12 |
-49.67 |
2 |
5 |
1 |
55 |
446.011 |
11 |
↓
|
Hi
High (pH 8-9.5)
|
4.87 |
9.86 |
-10.49 |
1 |
5 |
0 |
54 |
445.003 |
11 |
↓
|
|
|
Analogs
-
36145798
-
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)
|
4.87 |
11.45 |
-43.17 |
2 |
5 |
1 |
55 |
446.011 |
11 |
↓
|
Hi
High (pH 8-9.5)
|
4.87 |
9.31 |
-9.53 |
1 |
5 |
0 |
54 |
445.003 |
11 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
-
36145807
-
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)
|
4.35 |
11.68 |
-50.89 |
2 |
5 |
1 |
55 |
429.556 |
11 |
↓
|
Hi
High (pH 8-9.5)
|
4.35 |
9.41 |
-11.61 |
1 |
5 |
0 |
54 |
428.548 |
11 |
↓
|
|
|
Analogs
-
36145806
-
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)
|
4.35 |
11 |
-44 |
2 |
5 |
1 |
55 |
429.556 |
11 |
↓
|
Hi
High (pH 8-9.5)
|
4.35 |
8.85 |
-10.04 |
1 |
5 |
0 |
54 |
428.548 |
11 |
↓
|
|
|
|
|
|
|
Analogs
-
36145817
-
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)
|
4.47 |
11.78 |
-51.97 |
2 |
5 |
1 |
55 |
447.546 |
11 |
↓
|
Hi
High (pH 8-9.5)
|
4.47 |
9.3 |
-12.46 |
1 |
5 |
0 |
54 |
446.538 |
11 |
↓
|
|
|
Analogs
-
36145816
-
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)
|
4.47 |
10.91 |
-42.45 |
2 |
5 |
1 |
55 |
447.546 |
11 |
↓
|
Hi
High (pH 8-9.5)
|
4.47 |
8.79 |
-9.24 |
1 |
5 |
0 |
54 |
446.538 |
11 |
↓
|
|
|
Analogs
-
36145819
-
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 |
11.41 |
-52.17 |
2 |
5 |
1 |
55 |
447.546 |
10 |
↓
|
Hi
High (pH 8-9.5)
|
4.53 |
8.93 |
-12.52 |
1 |
5 |
0 |
54 |
446.538 |
10 |
↓
|
|
|
Analogs
-
36145818
-
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 |
10.57 |
-42.46 |
2 |
5 |
1 |
55 |
447.546 |
10 |
↓
|
Hi
High (pH 8-9.5)
|
4.53 |
8.43 |
-9.45 |
1 |
5 |
0 |
54 |
446.538 |
10 |
↓
|
|
|
|
|
|
|
Analogs
-
36145837
-
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)
|
4.50 |
9.51 |
-41.4 |
2 |
6 |
1 |
65 |
462.01 |
12 |
↓
|
Hi
High (pH 8-9.5)
|
4.50 |
7.37 |
-11.44 |
1 |
6 |
0 |
64 |
461.002 |
12 |
↓
|
|
|
Analogs
-
36145836
-
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)
|
4.50 |
9.99 |
-42.7 |
2 |
6 |
1 |
65 |
462.01 |
12 |
↓
|
Hi
High (pH 8-9.5)
|
4.50 |
7.49 |
-13.24 |
1 |
6 |
0 |
64 |
461.002 |
12 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
-
36145847
-
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)
|
3.58 |
9.13 |
-54.31 |
2 |
6 |
1 |
65 |
431.528 |
11 |
↓
|
|
|
Analogs
-
36145846
-
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)
|
3.58 |
9.37 |
-53.35 |
2 |
6 |
1 |
65 |
431.528 |
11 |
↓
|
|
|
Analogs
-
36145851
-
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)
|
3.96 |
9.44 |
-47.09 |
2 |
6 |
1 |
65 |
445.555 |
12 |
↓
|
|
|
Analogs
-
36145850
-
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)
|
3.96 |
9.26 |
-45.61 |
2 |
6 |
1 |
65 |
445.555 |
12 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
-
36145861
-
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 |
10.06 |
-45.62 |
2 |
5 |
1 |
55 |
415.529 |
11 |
↓
|
|
|
Analogs
-
36145860
-
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 |
10.82 |
-45.45 |
2 |
5 |
1 |
55 |
415.529 |
11 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
-
36145867
-
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)
|
3.86 |
11.01 |
-49.24 |
2 |
6 |
1 |
73 |
429.512 |
12 |
↓
|
|
|
Analogs
-
36145866
-
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)
|
3.86 |
10.83 |
-49.37 |
2 |
6 |
1 |
73 |
429.512 |
12 |
↓
|
|
|
Analogs
-
36145869
-
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)
|
3.23 |
8.57 |
-45.73 |
2 |
5 |
1 |
55 |
387.475 |
10 |
↓
|
|
|
Analogs
-
36145868
-
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)
|
3.23 |
8.39 |
-45.82 |
2 |
5 |
1 |
55 |
387.475 |
10 |
↓
|
|
|
|
|
|