|
Analogs
-
5740884
-
-
6257760
-
-
39268352
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 71 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)
|
1.14 |
3.53 |
-8.54 |
2 |
3 |
0 |
52 |
145.165 |
0 |
↓
|
Lo
Low (pH 4.5-6)
|
1.14 |
3.82 |
-28.14 |
3 |
3 |
1 |
53 |
146.173 |
0 |
↓
|
Lo
Low (pH 4.5-6)
|
1.14 |
0.15 |
-30.7 |
3 |
3 |
1 |
53 |
146.173 |
0 |
↓
|
|
|
Analogs
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Identity
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90%
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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)
|
-4.43 |
1.07 |
-26.85 |
3 |
3 |
1 |
50 |
139.178 |
2 |
↓
|
|
|
|
|
Analogs
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Identity
99%
90%
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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)
|
1.43 |
4.16 |
-8.41 |
1 |
2 |
0 |
29 |
118.139 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
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)
|
1.26 |
2.7 |
-8.84 |
1 |
2 |
0 |
29 |
118.139 |
0 |
↓
|
Lo
Low (pH 4.5-6)
|
1.26 |
2.97 |
-28.26 |
2 |
2 |
1 |
30 |
119.147 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
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)
|
0.95 |
2.89 |
-9.42 |
4 |
4 |
0 |
78 |
160.18 |
0 |
↓
|
Mid
Mid (pH 6-8)
|
0.95 |
3.21 |
-25.79 |
5 |
4 |
1 |
79 |
161.188 |
0 |
↓
|
Mid
Mid (pH 6-8)
|
0.95 |
-0.46 |
-30.14 |
5 |
4 |
1 |
79 |
161.188 |
0 |
↓
|
|
|
Analogs
-
25491177
-
-
25494514
-
Draw
Identity
99%
90%
80%
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)
|
-0.18 |
0.97 |
-6.34 |
3 |
4 |
0 |
64 |
124.147 |
1 |
↓
|
Lo
Low (pH 4.5-6)
|
-0.18 |
1.28 |
-28.49 |
4 |
4 |
1 |
65 |
125.155 |
1 |
↓
|
Lo
Low (pH 4.5-6)
|
-0.18 |
-2.45 |
-27.93 |
4 |
4 |
1 |
65 |
125.155 |
1 |
↓
|
|
|
Analogs
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Identity
99%
90%
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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)
|
0.35 |
0.7 |
-26 |
5 |
3 |
1 |
66 |
110.14 |
0 |
↓
|
|
|
Analogs
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Identity
99%
90%
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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)
|
0.32 |
2.36 |
-30.28 |
4 |
2 |
1 |
52 |
121.163 |
1 |
↓
|
|
|
Analogs
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Identity
99%
90%
80%
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)
|
-0.58 |
0.67 |
-6.43 |
4 |
4 |
0 |
78 |
110.12 |
0 |
↓
|
Mid
Mid (pH 6-8)
|
-0.58 |
0.99 |
-29.47 |
5 |
4 |
1 |
79 |
111.128 |
0 |
↓
|
Mid
Mid (pH 6-8)
|
-0.58 |
-2.76 |
-29.21 |
5 |
4 |
1 |
79 |
111.128 |
0 |
↓
|
|
|
Analogs
-
5832255
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 118 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)
|
-0.60 |
0.24 |
-29.4 |
6 |
3 |
1 |
78 |
136.178 |
1 |
↓
|
|
|
Analogs
-
39134611
-
Draw
Identity
99%
90%
80%
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)
|
0.70 |
1.58 |
-5.16 |
2 |
2 |
0 |
39 |
114.173 |
0 |
↓
|
Lo
Low (pH 4.5-6)
|
0.70 |
1.86 |
-26.53 |
3 |
2 |
1 |
40 |
115.181 |
0 |
↓
|
|
|
Analogs
-
39120794
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 19 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)
|
-1.34 |
2.6 |
-26.32 |
2 |
2 |
1 |
29 |
109.152 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
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And 2494 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)
|
1.46 |
1.63 |
-3.7 |
1 |
1 |
0 |
20 |
94.113 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
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)
|
1.34 |
-0.38 |
-7.32 |
2 |
2 |
0 |
40 |
128.102 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 153 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)
|
1.25 |
1.39 |
-7.98 |
1 |
2 |
0 |
37 |
122.123 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.25 |
2.16 |
-42.7 |
0 |
2 |
-1 |
40 |
121.115 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
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)
|
0.61 |
1.63 |
-10.05 |
1 |
3 |
0 |
38 |
154.194 |
1 |
↓
|
|
|
Analogs
-
330655
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 14 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)
|
1.26 |
4.91 |
-9.56 |
0 |
2 |
0 |
17 |
138.195 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
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)
|
1.06 |
3.97 |
-18.29 |
0 |
3 |
0 |
34 |
152.178 |
1 |
↓
|
|