|
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)
|
2.98 |
5.85 |
-48.08 |
2 |
2 |
1 |
29 |
235.307 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
2.98 |
4.25 |
-7.91 |
1 |
2 |
0 |
25 |
234.299 |
1 |
↓
|
|
|
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)
|
3.03 |
5.71 |
-46.7 |
2 |
2 |
1 |
29 |
235.307 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.03 |
4.34 |
-5.43 |
1 |
2 |
0 |
25 |
234.299 |
1 |
↓
|
|
|
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)
|
3.65 |
6.25 |
-46.02 |
2 |
2 |
1 |
29 |
296.213 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.65 |
4.89 |
-6.53 |
1 |
2 |
0 |
25 |
295.205 |
1 |
↓
|
|
|
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)
|
3.52 |
6.15 |
-46.06 |
2 |
2 |
1 |
29 |
251.762 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.52 |
4.79 |
-6.55 |
1 |
2 |
0 |
25 |
250.754 |
1 |
↓
|
|
|
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)
|
3.67 |
6.26 |
-46.38 |
2 |
2 |
1 |
29 |
296.213 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.67 |
4.9 |
-5.07 |
1 |
2 |
0 |
25 |
295.205 |
1 |
↓
|
|
|
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)
|
3.00 |
5.71 |
-46.65 |
2 |
2 |
1 |
29 |
235.307 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.00 |
4.34 |
-7.22 |
1 |
2 |
0 |
25 |
234.299 |
1 |
↓
|
|
|
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)
|
3.63 |
6.65 |
-46.11 |
2 |
2 |
1 |
29 |
296.213 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.63 |
4.63 |
-7.22 |
1 |
2 |
0 |
25 |
295.205 |
1 |
↓
|
|
|
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)
|
3.73 |
7.62 |
-44.92 |
2 |
2 |
1 |
29 |
245.371 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
3.73 |
5.85 |
-6.03 |
1 |
2 |
0 |
25 |
244.363 |
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)
|
2.38 |
2.79 |
-47.48 |
3 |
3 |
1 |
50 |
233.316 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
2.38 |
1.43 |
-7.28 |
2 |
3 |
0 |
45 |
232.308 |
1 |
↓
|
|
|
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)
|
2.36 |
2.79 |
-48.18 |
3 |
3 |
1 |
50 |
233.316 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
2.36 |
1.42 |
-7.59 |
2 |
3 |
0 |
45 |
232.308 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Popular Name:
2-(2,4,6-trimethoxyphenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine
2-(2,4,6-trimethoxyphenyl)-4,5,6…
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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)
|
2.89 |
4.06 |
-47.48 |
2 |
5 |
1 |
57 |
307.395 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.89 |
2.7 |
-11.53 |
1 |
5 |
0 |
53 |
306.387 |
4 |
↓
|
|
|
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)
|
2.93 |
7.14 |
-17.25 |
1 |
6 |
0 |
56 |
379.507 |
6 |
↓
|
|