|
|
|
|
|
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 |
Ref
Reference (pH 7)
|
-1.18 |
-0.81 |
-48.19 |
3 |
6 |
-1 |
110 |
218.229 |
6 |
↓
|
|
|
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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)
|
-1.18 |
-0.92 |
-48.11 |
3 |
6 |
-1 |
110 |
218.229 |
6 |
↓
|
|
|
|
|
|
|
|
|
|
|
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)
|
0.27 |
3.29 |
-45.83 |
0 |
3 |
-1 |
53 |
122.103 |
1 |
↓
|
Lo
Low (pH 4.5-6)
|
0.27 |
3.74 |
-46.83 |
1 |
3 |
0 |
54 |
123.111 |
1 |
↓
|
|
|
Analogs
-
1529313
-
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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)
|
-2.81 |
-5.19 |
-36.13 |
5 |
5 |
0 |
110 |
132.119 |
3 |
↓
|
|
|
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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)
|
0.24 |
2.02 |
-9.53 |
3 |
5 |
0 |
80 |
135.13 |
0 |
↓
|
|
|
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 |
Ref
Reference (pH 7)
|
-1.72 |
2.43 |
-35.08 |
2 |
3 |
0 |
57 |
115.132 |
1 |
↓
|
|
|
Analogs
-
4806450
-
-
4806446
-
Draw
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)
|
-3.54 |
-2.46 |
-364.46 |
4 |
18 |
-4 |
290 |
503.15 |
8 |
↓
|
Ref
Reference (pH 7)
|
-3.54 |
-3.61 |
-227.01 |
5 |
18 |
-3 |
288 |
504.158 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
-3.54 |
-3.61 |
-227.24 |
5 |
18 |
-3 |
288 |
504.158 |
8 |
↓
|
|
|
Analogs
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1532129
-
Draw
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 |
Ref
Reference (pH 7)
|
-0.55 |
4.37 |
-37.85 |
4 |
7 |
0 |
123 |
294.307 |
8 |
↓
|
Hi
High (pH 8-9.5)
|
-0.55 |
4.05 |
-50.28 |
3 |
7 |
-1 |
122 |
293.299 |
8 |
↓
|
|
|
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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)
|
-1.41 |
2.19 |
-37.86 |
3 |
3 |
0 |
68 |
131.175 |
3 |
↓
|
|
|
Analogs
-
1544807
-
-
22060223
-
-
22060226
-
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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)
|
2.25 |
8.46 |
-48.23 |
0 |
2 |
-1 |
40 |
205.324 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.25 |
6.48 |
-10.28 |
1 |
2 |
0 |
37 |
206.332 |
5 |
↓
|
|
|
Analogs
-
22060223
-
-
22060226
-
-
1532729
-
Draw
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)
|
2.25 |
8.4 |
-47.34 |
0 |
2 |
-1 |
40 |
205.324 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.25 |
6.42 |
-9.4 |
1 |
2 |
0 |
37 |
206.332 |
5 |
↓
|
|
|
Analogs
-
164935
-
Draw
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)
|
-1.91 |
-1.67 |
-41.78 |
3 |
3 |
0 |
67 |
117.148 |
2 |
↓
|
|
|
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 |
Ref
Reference (pH 7)
|
-2.69 |
0.21 |
-39.21 |
3 |
3 |
0 |
68 |
89.094 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
-2.69 |
-0.11 |
-43.06 |
2 |
3 |
-1 |
66 |
88.086 |
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)
|
-2.37 |
4.29 |
-128.65 |
5 |
13 |
-2 |
219 |
439.388 |
9 |
↓
|
Hi
High (pH 8-9.5)
|
-1.91 |
2.11 |
-174.25 |
4 |
13 |
-3 |
222 |
438.38 |
9 |
↓
|
Lo
Low (pH 4.5-6)
|
-2.37 |
2.32 |
-71.85 |
6 |
13 |
-1 |
216 |
440.396 |
9 |
↓
|
|
|
Analogs
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2389623
-
Draw
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 |
Ref
Reference (pH 7)
|
-3.30 |
-2.11 |
-39.77 |
4 |
4 |
0 |
88 |
119.12 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-3.30 |
-2.39 |
-45.14 |
3 |
4 |
-1 |
86 |
118.112 |
2 |
↓
|
|
|
Analogs
-
2166829
-
Draw
Identity
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70%
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Physical Representations
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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)
|
-3.43 |
-2.65 |
-49.6 |
6 |
6 |
0 |
123 |
175.188 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.07 |
5.73 |
-3.36 |
0 |
1 |
0 |
12 |
175.275 |
1 |
↓
|
|
|
|
|
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)
|
-2.71 |
-3.15 |
-36.35 |
3 |
3 |
0 |
67 |
121.161 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-2.71 |
-4.11 |
-53.68 |
3 |
3 |
-1 |
67 |
120.153 |
2 |
↓
|
|
|
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)
|
-1.08 |
4.08 |
-32.56 |
4 |
4 |
0 |
84 |
204.229 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
-1.08 |
3.78 |
-48.1 |
3 |
4 |
-1 |
82 |
203.221 |
3 |
↓
|
|
|
Analogs
-
388396
-
Draw
Identity
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Physical Representations
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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)
|
-1.38 |
2.28 |
-37.79 |
3 |
3 |
0 |
68 |
131.175 |
3 |
↓
|
|
|
Analogs
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Identity
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Physical Representations
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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)
|
-2.25 |
-1.63 |
-41.1 |
4 |
5 |
0 |
94 |
131.135 |
3 |
↓
|
|
|
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)
|
-2.55 |
-0.44 |
-40.12 |
3 |
3 |
0 |
68 |
75.067 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
-2.55 |
-0.82 |
-42.26 |
2 |
3 |
-1 |
66 |
74.059 |
1 |
↓
|
|
|
Analogs
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Identity
99%
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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)
|
-4.97 |
-0.38 |
-79.69 |
5 |
9 |
-1 |
166 |
306.32 |
9 |
↓
|
Hi
High (pH 8-9.5)
|
-4.97 |
-0.7 |
-93.89 |
4 |
9 |
-2 |
164 |
305.312 |
9 |
↓
|
Hi
High (pH 8-9.5)
|
2.30 |
6.24 |
-93.26 |
7 |
7 |
2 |
113 |
440.498 |
4 |
↓
|
|
|
Analogs
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Identity
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70%
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Physical Representations
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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)
|
-3.25 |
1.74 |
-73.91 |
3 |
5 |
-1 |
108 |
146.122 |
4 |
↓
|
|
|
Analogs
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Identity
99%
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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)
|
-0.65 |
3.54 |
-101.06 |
0 |
4 |
-2 |
80 |
116.072 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
-0.65 |
1.56 |
-42.51 |
1 |
4 |
-1 |
77 |
117.08 |
3 |
↓
|
|
|
Analogs
-
1529198
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 93 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)
|
-4.86 |
2.26 |
-62.06 |
6 |
6 |
0 |
136 |
240.306 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
-4.86 |
1.97 |
-65.23 |
5 |
6 |
-1 |
134 |
239.298 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
-4.86 |
1.67 |
-91.3 |
4 |
6 |
-2 |
132 |
238.29 |
7 |
↓
|
|
|
Analogs
-
2234
-
Draw
Identity
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70%
Vendors
And 112 More
Physical Representations
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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)
|
-1.71 |
1.17 |
-36.43 |
4 |
4 |
0 |
88 |
181.191 |
3 |
↓
|
|
|
Analogs
-
1532766
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 97 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)
|
-2.24 |
2.24 |
-40.54 |
3 |
3 |
0 |
68 |
149.215 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
-2.24 |
1.91 |
-44.84 |
2 |
3 |
-1 |
66 |
148.207 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 91 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)
|
-3.67 |
-3.07 |
-34.14 |
4 |
4 |
0 |
88 |
105.093 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-3.67 |
-3.4 |
-42.43 |
3 |
4 |
-1 |
86 |
104.085 |
2 |
↓
|
|
|
|
|
|
|
Analogs
-
1532609
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 84 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)
|
-3.76 |
-2.13 |
-50.63 |
5 |
5 |
0 |
111 |
146.146 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
-3.76 |
-2.45 |
-53.15 |
4 |
5 |
-1 |
109 |
145.138 |
4 |
↓
|
|
|
Analogs
-
1532678
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 127 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)
|
-3.69 |
-0.84 |
-89.95 |
6 |
4 |
1 |
95 |
133.171 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
-3.69 |
-1.15 |
-65.17 |
5 |
4 |
0 |
94 |
132.163 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 137 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)
|
-3.52 |
1 |
-52.73 |
3 |
5 |
-1 |
108 |
132.095 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
-3.52 |
-1.01 |
-32.41 |
4 |
5 |
0 |
105 |
133.103 |
3 |
↓
|
|
|
Analogs
-
1532612
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 36 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)
|
-2.13 |
0.14 |
-262.68 |
10 |
4 |
4 |
88 |
206.378 |
11 |
↓
|
Hi
High (pH 8-9.5)
|
-2.13 |
-0.62 |
-97.52 |
8 |
4 |
2 |
85 |
204.362 |
11 |
↓
|
Hi
High (pH 8-9.5)
|
-2.13 |
-1.59 |
-88.23 |
8 |
4 |
2 |
82 |
204.362 |
11 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 79 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)
|
-4.12 |
-5.47 |
-13.37 |
2 |
6 |
0 |
107 |
175.116 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-4.12 |
-4.62 |
-15.59 |
2 |
6 |
0 |
107 |
175.116 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-0.93 |
-8.02 |
-141.02 |
3 |
6 |
-2 |
120 |
174.108 |
2 |
↓
|
|
|
Analogs
-
1532749
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 160 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)
|
-3.63 |
0.33 |
-74.97 |
8 |
6 |
1 |
131 |
175.212 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
3.64 |
10.11 |
-7.64 |
0 |
2 |
0 |
20 |
328.209 |
1 |
↓
|
|
|
Analogs
-
1532731
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 166 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)
|
-3.18 |
-0.05 |
-85.42 |
6 |
4 |
1 |
95 |
147.198 |
5 |
↓
|
|
|
Analogs
-
5192442
-
-
5192451
-
-
1532548
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 75 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)
|
0.76 |
3.51 |
-56.36 |
2 |
5 |
-1 |
81 |
243.308 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
0.76 |
1.53 |
-16.74 |
3 |
5 |
0 |
78 |
244.316 |
5 |
↓
|
|
|
Analogs
-
39643233
-
-
39643234
-
-
1927
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 113 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)
|
-1.23 |
4.02 |
-34.63 |
3 |
3 |
0 |
68 |
165.192 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 69 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)
|
-0.90 |
2.73 |
-41.42 |
0 |
3 |
-1 |
57 |
87.054 |
1 |
↓
|
|
|
|
|
|