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Analogs
-
1621253
-
-
13472655
-
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 |
9.02 |
-42.11 |
2 |
3 |
1 |
29 |
284.427 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
4.35 |
9.37 |
-75.64 |
3 |
3 |
2 |
31 |
285.435 |
2 |
↓
|
|
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Analogs
-
1621253
-
-
13472655
-
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 |
8.74 |
-43.06 |
2 |
3 |
1 |
29 |
284.427 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
4.35 |
9.09 |
-76.57 |
3 |
3 |
2 |
31 |
285.435 |
2 |
↓
|
|
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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)
|
4.35 |
9.37 |
-43.17 |
2 |
3 |
1 |
29 |
284.427 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
4.35 |
9.71 |
-79.99 |
3 |
3 |
2 |
31 |
285.435 |
2 |
↓
|
|
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Analogs
-
1621253
-
-
13472655
-
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 |
9.04 |
-42.87 |
2 |
3 |
1 |
29 |
284.427 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
4.35 |
9.39 |
-76.52 |
3 |
3 |
2 |
31 |
285.435 |
2 |
↓
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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)
|
4.58 |
8.5 |
-46.02 |
2 |
3 |
1 |
29 |
304.845 |
2 |
↓
|
|
|
|
|
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)
|
2.50 |
5.99 |
-14.38 |
1 |
4 |
0 |
45 |
269.348 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.50 |
6.42 |
-37.9 |
2 |
4 |
1 |
46 |
270.356 |
2 |
↓
|
|
|
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)
|
3.30 |
8.21 |
-45.96 |
2 |
3 |
1 |
29 |
266.368 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.30 |
5.93 |
-7.85 |
1 |
3 |
0 |
28 |
265.36 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.30 |
6.35 |
-30.84 |
2 |
3 |
1 |
29 |
266.368 |
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)
|
2.42 |
3.41 |
-14.82 |
3 |
5 |
0 |
71 |
270.336 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.42 |
3.83 |
-38.3 |
4 |
5 |
1 |
72 |
271.344 |
2 |
↓
|
|
|
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)
|
2.90 |
6.74 |
-12.72 |
1 |
4 |
0 |
45 |
283.375 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.90 |
7.08 |
-36.6 |
2 |
4 |
1 |
46 |
284.383 |
2 |
↓
|
|
|
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)
|
3.70 |
9.04 |
-45.26 |
2 |
3 |
1 |
29 |
280.395 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.70 |
6.76 |
-7.62 |
1 |
3 |
0 |
28 |
279.387 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.70 |
7.11 |
-30.21 |
2 |
3 |
1 |
29 |
280.395 |
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)
|
2.82 |
4.24 |
-14.51 |
3 |
5 |
0 |
71 |
284.363 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.82 |
4.59 |
-37.72 |
4 |
5 |
1 |
72 |
285.371 |
2 |
↓
|
|
|
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)
|
3.13 |
6.6 |
-15.64 |
1 |
4 |
0 |
45 |
303.793 |
2 |
↓
|
|
|
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)
|
3.93 |
8.81 |
-48.48 |
2 |
3 |
1 |
29 |
300.813 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.93 |
6.53 |
-8.86 |
1 |
3 |
0 |
28 |
299.805 |
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)
|
3.05 |
4.01 |
-16.07 |
3 |
5 |
0 |
71 |
304.781 |
2 |
↓
|
|
|
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)
|
3.46 |
6.5 |
-41.92 |
4 |
4 |
1 |
55 |
285.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.46 |
6.98 |
-77.88 |
5 |
4 |
2 |
57 |
286.423 |
4 |
↓
|
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