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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)
|
9.04 |
15.86 |
-2.5 |
0 |
0 |
0 |
0 |
413.49 |
11 |
↓
|
|
|
Analogs
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Identity
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70%
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Type
pH range
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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 |
|
|
Analogs
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Identity
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pH range
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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 |
|
|
Analogs
-
3957106
-
Draw
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)
|
0.76 |
2.13 |
-8.25 |
1 |
4 |
0 |
55 |
191.186 |
1 |
↓
|
Ref
Reference (pH 7)
|
0.81 |
0.94 |
-44.84 |
1 |
4 |
-1 |
65 |
190.178 |
1 |
↓
|
|
|
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)
|
-0.12 |
-0.09 |
-17.39 |
1 |
3 |
0 |
46 |
110.116 |
0 |
↓
|
Ref
Reference (pH 7)
|
-0.12 |
-0.15 |
-15.74 |
1 |
3 |
0 |
46 |
110.116 |
0 |
↓
|
|
|
Analogs
-
25492647
-
Draw
Identity
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90%
80%
70%
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And 67 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)
|
-1.50 |
-2.37 |
-11.3 |
7 |
6 |
0 |
124 |
141.134 |
0 |
↓
|
Ref
Reference (pH 7)
|
-1.50 |
-3.04 |
-20.86 |
7 |
6 |
0 |
124 |
141.134 |
0 |
↓
|
Hi
High (pH 8-9.5)
|
-0.20 |
1.26 |
-97.29 |
9 |
11 |
2 |
174 |
437.508 |
5 |
↓
|
|
|
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)
|
1.69 |
4.19 |
-11.73 |
3 |
5 |
0 |
73 |
308.263 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.06 |
3.18 |
-33.33 |
3 |
5 |
0 |
82 |
308.263 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.06 |
3.16 |
-36.43 |
3 |
5 |
0 |
82 |
308.263 |
3 |
↓
|
|
|
Analogs
-
5387244
-
-
6493890
-
-
6666144
-
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)
|
1.36 |
2.74 |
-12.77 |
3 |
5 |
0 |
81 |
203.201 |
2 |
↓
|
|
|
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 |
|
|
Analogs
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Identity
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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)
|
0.92 |
-5.98 |
-4.84 |
2 |
7 |
0 |
112 |
191.53 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
0.47 |
-3.03 |
-29.49 |
1 |
7 |
-1 |
115 |
190.522 |
1 |
↓
|
|
|
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 |
Hi
High (pH 8-9.5)
|
2.85 |
5.47 |
-11.01 |
2 |
6 |
0 |
91 |
377.444 |
7 |
↓
|
|
|
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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 |
|
|
Analogs
-
5728931
-
Draw
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)
|
1.85 |
4.98 |
-44.22 |
0 |
3 |
-1 |
53 |
216.138 |
3 |
↓
|
Ref
Reference (pH 7)
|
1.40 |
4.92 |
-45.32 |
0 |
3 |
-1 |
53 |
216.138 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.66 |
4.93 |
-11.76 |
0 |
3 |
0 |
47 |
217.146 |
4 |
↓
|
|
|
Analogs
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Identity
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|
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)
|
-1.66 |
4.83 |
-37.12 |
1 |
4 |
1 |
48 |
189.194 |
0 |
↓
|
Hi
High (pH 8-9.5)
|
-1.66 |
5.92 |
-19.45 |
0 |
4 |
0 |
51 |
188.186 |
0 |
↓
|
|
|
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)
|
1.15 |
2.75 |
-8.78 |
3 |
4 |
0 |
68 |
162.196 |
0 |
↓
|
Ref
Reference (pH 7)
|
1.15 |
2.75 |
-14.44 |
3 |
4 |
0 |
68 |
162.196 |
0 |
↓
|
|
|
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)
|
2.46 |
3.28 |
-7.63 |
2 |
2 |
0 |
39 |
240.637 |
2 |
↓
|
|
|
Analogs
-
39049963
-
Draw
Identity
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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)
|
-0.13 |
-0.58 |
-8.86 |
3 |
4 |
0 |
72 |
151.169 |
1 |
↓
|
Ref
Reference (pH 7)
|
0.75 |
2.53 |
-21.58 |
3 |
4 |
0 |
71 |
151.169 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
0.75 |
2.46 |
-31.08 |
4 |
4 |
1 |
73 |
152.177 |
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)
|
4.01 |
6.35 |
-26.13 |
1 |
4 |
0 |
63 |
317.288 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
4.01 |
5.32 |
-58.29 |
0 |
4 |
-1 |
62 |
316.28 |
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 |
Hi
High (pH 8-9.5)
|
8.57 |
20.12 |
-7.17 |
0 |
3 |
0 |
19 |
489.622 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
8.57 |
20.59 |
-41.44 |
1 |
3 |
1 |
21 |
490.63 |
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 |
Hi
High (pH 8-9.5)
|
3.48 |
6.73 |
-5.93 |
0 |
2 |
0 |
37 |
216.671 |
0 |
↓
|
|
|
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)
|
3.06 |
7.73 |
-9.86 |
1 |
5 |
0 |
65 |
267.325 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
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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)
|
0.80 |
3.07 |
-9.96 |
1 |
5 |
0 |
68 |
177.163 |
2 |
↓
|
|
|
Analogs
Draw
Identity
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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)
|
0.46 |
4.15 |
-8.09 |
0 |
5 |
0 |
66 |
207.185 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
1.32 |
3.39 |
-46.61 |
0 |
5 |
-1 |
75 |
206.177 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.46 |
4.15 |
-8.09 |
0 |
5 |
0 |
66 |
207.185 |
3 |
↓
|
|
|
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 |
|
|
Analogs
Draw
Identity
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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)
|
0.21 |
3.12 |
-51.81 |
1 |
5 |
-1 |
82 |
162.128 |
1 |
↓
|
Ref
Reference (pH 7)
|
0.21 |
3.16 |
-48.18 |
1 |
5 |
-1 |
82 |
162.128 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
0.21 |
2.68 |
-122.6 |
0 |
5 |
-2 |
80 |
161.12 |
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)
|
1.47 |
3.56 |
-5.87 |
1 |
5 |
0 |
68 |
256.059 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.47 |
3.61 |
-8.41 |
1 |
5 |
0 |
68 |
256.059 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
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And 22 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)
|
0.36 |
3.53 |
-12.69 |
1 |
4 |
0 |
54 |
146.153 |
1 |
↓
|
Ref
Reference (pH 7)
|
0.36 |
3.49 |
-7.46 |
1 |
4 |
0 |
54 |
146.153 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
0.36 |
3.31 |
-44.96 |
0 |
4 |
-1 |
53 |
145.145 |
1 |
↓
|
|
|
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 |
|
|
Analogs
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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 |
Mid
Mid (pH 6-8)
|
-0.11 |
0.39 |
-5.16 |
3 |
3 |
0 |
51 |
109.132 |
1 |
↓
|
|
|
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pH range
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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 |
3.75 |
-11.52 |
2 |
4 |
0 |
75 |
146.153 |
1 |
↓
|
Ref
Reference (pH 7)
|
-0.95 |
4.72 |
-9.27 |
2 |
4 |
0 |
75 |
146.153 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
-0.95 |
4.64 |
-38.15 |
3 |
4 |
1 |
77 |
147.161 |
1 |
↓
|
|
|
Analogs
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Identity
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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)
|
0.88 |
2.02 |
-17.13 |
1 |
5 |
0 |
74 |
262.309 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
0.88 |
2.71 |
-30.94 |
0 |
5 |
-1 |
76 |
261.301 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
0.88 |
2.71 |
-31.02 |
0 |
5 |
-1 |
76 |
261.301 |
2 |
↓
|
|
|
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)
|
0.95 |
2.3 |
-30.64 |
0 |
5 |
-1 |
82 |
139.09 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
0.95 |
1.57 |
-10.71 |
1 |
5 |
0 |
79 |
140.098 |
1 |
↓
|
Lo
Low (pH 4.5-6)
|
0.95 |
1.8 |
-37.83 |
2 |
5 |
1 |
80 |
141.106 |
1 |
↓
|
|
|
Analogs
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36878851
-
-
36878959
-
-
43446226
-
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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)
|
1.79 |
6.5 |
-50.2 |
2 |
6 |
1 |
72 |
287.38 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
1.79 |
5.21 |
-10.38 |
1 |
6 |
0 |
68 |
286.372 |
7 |
↓
|
|
|
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pH range
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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)
|
-0.99 |
2.79 |
-62.16 |
1 |
5 |
-1 |
86 |
139.09 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
-0.53 |
0.76 |
-116.63 |
0 |
5 |
-2 |
89 |
138.082 |
1 |
↓
|
|
|
Analogs
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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)
|
0.66 |
3.82 |
-21.88 |
1 |
2 |
0 |
29 |
140.211 |
0 |
↓
|
|
|
Analogs
-
34636383
-
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Identity
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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)
|
2.06 |
1.03 |
-52.57 |
5 |
7 |
1 |
105 |
387.456 |
7 |
↓
|
|
|
Analogs
-
34892266
-
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)
|
2.06 |
1.06 |
-53.26 |
5 |
7 |
1 |
105 |
387.456 |
7 |
↓
|
|
|
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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)
|
2.86 |
6.61 |
-52.75 |
1 |
5 |
-1 |
73 |
368.416 |
2 |
↓
|
Ref
Reference (pH 7)
|
2.86 |
5.82 |
-54.48 |
1 |
5 |
-1 |
73 |
368.416 |
2 |
↓
|
Ref
Reference (pH 7)
|
2.86 |
5.83 |
-54.49 |
1 |
5 |
-1 |
73 |
368.416 |
2 |
↓
|
|
|
Analogs
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Identity
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90%
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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)
|
0.20 |
6.81 |
-92.5 |
2 |
9 |
0 |
117 |
401.448 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.20 |
5.46 |
-59.03 |
1 |
9 |
-1 |
112 |
400.44 |
5 |
↓
|
|
|
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)
|
0.20 |
9.66 |
-98.05 |
2 |
9 |
0 |
117 |
401.448 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
0.20 |
8.42 |
-63.4 |
1 |
9 |
-1 |
112 |
400.44 |
5 |
↓
|
|
|
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)
|
2.94 |
7.69 |
-74.14 |
6 |
7 |
2 |
96 |
394.454 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
2.94 |
5.32 |
-25.07 |
5 |
7 |
1 |
95 |
393.446 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
2.94 |
5.32 |
-24.47 |
5 |
7 |
1 |
95 |
393.446 |
1 |
↓
|
|
|
Analogs
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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)
|
2.66 |
8.66 |
-41.9 |
4 |
8 |
1 |
109 |
452.922 |
7 |
↓
|
|
|
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)
|
5.26 |
4.03 |
-58.95 |
0 |
5 |
-1 |
71 |
438.381 |
7 |
↓
|
|
|
Analogs
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Identity
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90%
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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)
|
4.83 |
10.71 |
-54.98 |
3 |
3 |
1 |
42 |
399.383 |
9 |
↓
|
Mid
Mid (pH 6-8)
|
4.83 |
9.45 |
-11.16 |
2 |
3 |
0 |
37 |
398.375 |
9 |
↓
|
|
|
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)
|
1.44 |
2.87 |
-52.7 |
0 |
2 |
-1 |
40 |
141.171 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
1.44 |
1.98 |
-9.39 |
1 |
2 |
0 |
37 |
142.179 |
1 |
↓
|
|
|
Analogs
-
55258
-
Draw
Identity
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And 8 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)
|
1.83 |
1.68 |
-9.71 |
0 |
3 |
0 |
46 |
155.178 |
2 |
↓
|
|
|
Analogs
-
39366505
-
Draw
Identity
99%
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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)
|
0.60 |
2.98 |
-132.53 |
0 |
4 |
-2 |
80 |
170.145 |
2 |
↓
|
|
|
Analogs
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Identity
99%
90%
80%
70%
Vendors
And 56 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)
|
1.22 |
4.93 |
-94.4 |
0 |
4 |
-2 |
80 |
170.145 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 23 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)
|
0.91 |
3.1 |
-125.91 |
0 |
4 |
-2 |
80 |
170.145 |
2 |
↓
|
|
|
Analogs
-
5813246
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 24 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)
|
2.48 |
5.64 |
-49.36 |
0 |
2 |
-1 |
40 |
183.233 |
1 |
↓
|
|