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Analogs
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Identity
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70%
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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)
|
3.70 |
11.77 |
-18.54 |
1 |
5 |
0 |
68 |
388.467 |
5 |
↓
|
|
|
Analogs
Draw
Identity
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90%
80%
70%
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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 |
11.68 |
-15.19 |
1 |
5 |
0 |
68 |
388.467 |
5 |
↓
|
|
|
Analogs
Draw
Identity
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90%
80%
70%
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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 |
11.77 |
-18.66 |
1 |
5 |
0 |
68 |
388.467 |
5 |
↓
|
|
|
Analogs
Draw
Identity
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70%
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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 |
11.68 |
-15.24 |
1 |
5 |
0 |
68 |
388.467 |
5 |
↓
|
|
|
Analogs
-
227256
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 12 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)
|
2.17 |
7.67 |
-10.34 |
1 |
4 |
0 |
66 |
289.338 |
5 |
↓
|
|
|
Analogs
-
13123675
-
-
1291768
-
-
1291769
-
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)
|
2.55 |
11.6 |
-9.89 |
1 |
7 |
0 |
82 |
339.399 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.73 |
11.56 |
-38.58 |
0 |
7 |
-1 |
83 |
338.391 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
2.73 |
12.24 |
-53.35 |
2 |
7 |
1 |
86 |
340.407 |
4 |
↓
|
|
|
Analogs
-
1291768
-
-
1291769
-
-
13123674
-
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)
|
2.55 |
11.6 |
-9.88 |
1 |
7 |
0 |
82 |
339.399 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.73 |
11.56 |
-38.53 |
0 |
7 |
-1 |
83 |
338.391 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
2.73 |
12.25 |
-53.39 |
2 |
7 |
1 |
86 |
340.407 |
4 |
↓
|
|
|
Analogs
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Identity
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70%
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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)
|
3.00 |
9.64 |
-11.37 |
1 |
4 |
0 |
33 |
314.458 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
3.00 |
10.1 |
-48.06 |
2 |
4 |
1 |
34 |
315.466 |
6 |
↓
|
|
|
Analogs
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Identity
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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)
|
3.00 |
9.66 |
-11.28 |
1 |
4 |
0 |
33 |
314.458 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
3.00 |
10.12 |
-49.34 |
2 |
4 |
1 |
34 |
315.466 |
6 |
↓
|
|
|
Analogs
-
31947976
-
Draw
Identity
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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)
|
3.98 |
7.96 |
-6.8 |
0 |
2 |
0 |
26 |
317.211 |
2 |
↓
|
|
|
Analogs
-
2358774
-
-
2358777
-
Draw
Identity
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70%
Vendors
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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)
|
3.62 |
1.44 |
-7.23 |
0 |
5 |
0 |
57 |
348.189 |
5 |
↓
|
|
|
Analogs
-
2358774
-
-
2358777
-
Draw
Identity
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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)
|
3.62 |
1.19 |
-14.13 |
0 |
5 |
0 |
57 |
348.189 |
5 |
↓
|
|
|
Analogs
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Identity
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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)
|
4.65 |
9.86 |
-15.87 |
1 |
5 |
0 |
60 |
395.182 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
4.65 |
10.41 |
-45.95 |
2 |
5 |
1 |
62 |
396.19 |
6 |
↓
|
|
|
Analogs
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Identity
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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)
|
4.17 |
0.18 |
-5.18 |
0 |
1 |
0 |
12 |
284.211 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
4.17 |
0.29 |
-35.45 |
1 |
1 |
1 |
14 |
285.219 |
4 |
↓
|
|
|
Analogs
-
7991650
-
-
38278640
-
Draw
Identity
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90%
80%
70%
Vendors
And 12 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)
|
2.85 |
6.92 |
-8.75 |
0 |
3 |
0 |
31 |
241.29 |
4 |
↓
|
|
|
Analogs
-
5486494
-
Draw
Identity
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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)
|
3.10 |
0.53 |
-8.36 |
0 |
3 |
0 |
31 |
225.247 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
3.10 |
0.64 |
-38.71 |
1 |
3 |
1 |
32 |
226.255 |
2 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
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Identity
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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)
|
4.14 |
13.07 |
-7.09 |
0 |
4 |
0 |
48 |
362.191 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
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70%
Vendors
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)
|
2.04 |
9.12 |
-45.34 |
3 |
7 |
1 |
79 |
472.613 |
9 |
↓
|
Mid
Mid (pH 6-8)
|
2.04 |
8.75 |
-44.91 |
3 |
7 |
1 |
79 |
472.613 |
9 |
↓
|
Mid
Mid (pH 6-8)
|
2.04 |
6.84 |
-8.74 |
2 |
7 |
0 |
78 |
471.605 |
9 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
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70%
Vendors
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)
|
2.04 |
8.52 |
-42.22 |
3 |
7 |
1 |
79 |
472.613 |
9 |
↓
|
Mid
Mid (pH 6-8)
|
2.04 |
8.75 |
-43.92 |
3 |
7 |
1 |
79 |
472.613 |
9 |
↓
|
Mid
Mid (pH 6-8)
|
2.04 |
6.27 |
-9.39 |
2 |
7 |
0 |
78 |
471.605 |
9 |
↓
|
|
|
Analogs
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Identity
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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)
|
2.43 |
1.82 |
-14.93 |
0 |
3 |
0 |
34 |
255.104 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
-1.11 |
2.11 |
-41.34 |
1 |
3 |
1 |
36 |
256.112 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 15 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)
|
3.12 |
7.75 |
-11.37 |
2 |
5 |
0 |
74 |
346.386 |
4 |
↓
|
|
|
Analogs
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Identity
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And 15 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)
|
3.12 |
7.75 |
-11.3 |
2 |
5 |
0 |
74 |
346.386 |
4 |
↓
|
|
|
Analogs
-
13140576
-
-
37050489
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 1 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)
|
2.77 |
9.53 |
-9.44 |
0 |
3 |
0 |
27 |
230.311 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.77 |
10.04 |
-35.17 |
1 |
3 |
1 |
28 |
231.319 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
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70%
Vendors
And 1 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)
|
3.04 |
10.82 |
-34.61 |
1 |
3 |
1 |
28 |
245.346 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
3.04 |
10.31 |
-8.83 |
0 |
3 |
0 |
27 |
244.338 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
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70%
Vendors
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 |
10.97 |
-8.43 |
0 |
3 |
0 |
27 |
278.783 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
3.91 |
11.49 |
-34.21 |
1 |
3 |
1 |
28 |
279.791 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
3.55 |
11.42 |
-34.43 |
1 |
3 |
1 |
28 |
259.373 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
3.55 |
10.9 |
-9.86 |
0 |
3 |
0 |
27 |
258.365 |
7 |
↓
|
|
|
Analogs
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Identity
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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)
|
3.99 |
11.12 |
-9.61 |
0 |
3 |
0 |
27 |
323.234 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
3.99 |
11.64 |
-35.06 |
1 |
3 |
1 |
28 |
324.242 |
8 |
↓
|
|
|
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Identity
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70%
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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)
|
2.76 |
8.73 |
-9.45 |
0 |
3 |
0 |
27 |
281.153 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.76 |
9.25 |
-36.38 |
1 |
3 |
1 |
28 |
282.161 |
5 |
↓
|
|
|
Analogs
-
39893124
-
Draw
Identity
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70%
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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)
|
2.80 |
-0.49 |
-15.24 |
1 |
4 |
0 |
55 |
316.36 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
2.80 |
-0.38 |
-48.12 |
2 |
4 |
1 |
56 |
317.368 |
4 |
↓
|
|
|
Analogs
-
3878454
-
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Identity
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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)
|
4.61 |
1.03 |
-5.51 |
0 |
3 |
0 |
31 |
327.468 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
4.61 |
1.14 |
-30.81 |
1 |
3 |
1 |
32 |
328.476 |
4 |
↓
|
|
|
Analogs
-
3878453
-
Draw
Identity
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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)
|
4.61 |
1.66 |
-4.96 |
0 |
3 |
0 |
31 |
327.468 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
4.61 |
1.77 |
-31.14 |
1 |
3 |
1 |
32 |
328.476 |
4 |
↓
|
|
|
Analogs
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Identity
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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)
|
2.24 |
0.64 |
-7.21 |
0 |
2 |
0 |
30 |
215.277 |
3 |
↓
|
|
|
Analogs
-
6514341
-
-
13281677
-
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
3.55 |
12.48 |
-6.36 |
0 |
2 |
0 |
18 |
260.34 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.55 |
12.98 |
-32.81 |
1 |
2 |
1 |
19 |
261.348 |
3 |
↓
|
|
|
Analogs
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Identity
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70%
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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)
|
4.11 |
11.26 |
-6.78 |
0 |
2 |
0 |
18 |
294.32 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
4.11 |
11.77 |
-37.02 |
1 |
2 |
1 |
19 |
295.328 |
4 |
↓
|
|
|
Analogs
-
4385846
-
Draw
Identity
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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)
|
3.46 |
-2.3 |
-15.43 |
1 |
6 |
0 |
73 |
407.495 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
3.46 |
-2.02 |
-43.19 |
2 |
6 |
1 |
74 |
408.503 |
6 |
↓
|
|
|
Analogs
-
4385845
-
Draw
Identity
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80%
70%
Vendors
And 10 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)
|
3.46 |
-2.34 |
-16.25 |
1 |
6 |
0 |
73 |
407.495 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
3.46 |
-2.06 |
-42.11 |
2 |
6 |
1 |
74 |
408.503 |
6 |
↓
|
|
|
Analogs
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Identity
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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)
|
3.00 |
1.82 |
-13.05 |
1 |
4 |
0 |
50 |
359.351 |
6 |
↓
|
|
|
Analogs
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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)
|
3.00 |
1.8 |
-11.92 |
1 |
4 |
0 |
50 |
359.351 |
6 |
↓
|
|
|
Analogs
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Identity
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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)
|
2.08 |
-0.27 |
-13.15 |
1 |
4 |
0 |
50 |
291.354 |
5 |
↓
|
|
|
Analogs
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Identity
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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)
|
2.08 |
-0.35 |
-13.12 |
1 |
4 |
0 |
50 |
291.354 |
5 |
↓
|
|
|
Analogs
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Identity
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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)
|
3.11 |
1.67 |
-7.16 |
0 |
2 |
0 |
17 |
232.286 |
1 |
↓
|
|
|
Analogs
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Identity
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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)
|
3.62 |
-5.32 |
-14.97 |
4 |
6 |
0 |
96 |
413.506 |
5 |
↓
|
|
|
Analogs
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Identity
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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)
|
2.46 |
8.16 |
-8.58 |
0 |
2 |
0 |
30 |
227.307 |
2 |
↓
|
|
|
Analogs
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Identity
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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)
|
2.04 |
8.4 |
-19.76 |
2 |
6 |
0 |
87 |
364.199 |
6 |
↓
|
|
|
Analogs
-
4902250
-
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)
|
2.74 |
6.36 |
-24.32 |
1 |
7 |
0 |
92 |
416.528 |
4 |
↓
|
|
|
Analogs
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Identity
99%
90%
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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)
|
3.23 |
4.21 |
-14.1 |
1 |
5 |
0 |
72 |
410.318 |
5 |
↓
|
|