|
Analogs
-
308379
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 20 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)
|
2.00 |
5.87 |
-8.2 |
1 |
3 |
0 |
32 |
212.318 |
4 |
↓
|
|
|
Analogs
-
4095934
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 32 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)
|
1.33 |
3.06 |
-23.33 |
2 |
6 |
0 |
87 |
281.337 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 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)
|
2.51 |
9 |
-14.93 |
0 |
4 |
0 |
39 |
277.364 |
8 |
↓
|
|
|
Analogs
-
1841718
-
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
1.42 |
5.57 |
-41.98 |
0 |
4 |
-1 |
66 |
217.2 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 6 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)
|
1.44 |
-3.82 |
-11.37 |
4 |
7 |
0 |
99 |
303.366 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.44 |
-3.62 |
-38.89 |
5 |
7 |
1 |
100 |
304.374 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.44 |
-3.63 |
-39.25 |
5 |
7 |
1 |
100 |
304.374 |
5 |
↓
|
|
|
Analogs
-
4611316
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 21 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)
|
1.28 |
4.89 |
-24.55 |
2 |
4 |
0 |
66 |
289.356 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
1.28 |
5.63 |
-61.69 |
1 |
4 |
-1 |
69 |
288.348 |
5 |
↓
|
|
|
|
|
Analogs
-
1758974
-
Draw
Identity
99%
90%
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)
|
-0.33 |
5.56 |
-38.38 |
1 |
3 |
0 |
45 |
214.092 |
6 |
↓
|
|
|
Analogs
-
2013499
-
-
5459478
-
-
27877188
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 11 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)
|
3.85 |
4.02 |
-40.52 |
1 |
3 |
1 |
30 |
288.411 |
6 |
↓
|
|
|
Analogs
-
1999253
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 17 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)
|
3.21 |
0.47 |
-48.57 |
1 |
3 |
-1 |
52 |
218.276 |
5 |
↓
|
|
|
Analogs
-
86599
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 85 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)
|
2.58 |
5.16 |
-40.25 |
3 |
3 |
1 |
46 |
250.362 |
8 |
↓
|
Hi
High (pH 8-9.5)
|
2.58 |
3.88 |
-5.22 |
2 |
3 |
0 |
41 |
249.354 |
8 |
↓
|
|
|
|
|
|
|
Analogs
-
16090786
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 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 |
-1.91 |
-46.13 |
3 |
4 |
0 |
71 |
319.232 |
9 |
↓
|
|
|
Analogs
-
4211922
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
2,3-Dihydro-6-amino-2-(2-chloroethyl)-4H-1,3-benzoxazin-4-one; 2-(beta-Chloroethyl)-2,3-dihydro-4-oxo-6-amino-1,3-benzoxazine; 2H-1,3-Benzoxazin-4(3H)-one, 6-amino-2-(2-chloroethyl)-; 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-amino-2-(2-chloroethyl)-; 4H-1,3
2,3-Dihydro-6-amino-2-(2-chloroe…
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Vendors
And 2 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)
|
1.45 |
-4.5 |
-10.37 |
3 |
4 |
0 |
64 |
226.663 |
2 |
↓
|
|
|
Analogs
-
2020048
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 18 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)
|
2.94 |
0.89 |
-37.97 |
3 |
3 |
1 |
47 |
297.422 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
0.89 |
2.55 |
-38.03 |
3 |
1 |
1 |
28 |
110.18 |
0 |
↓
|
|
|
Analogs
-
5211994
-
Draw
Identity
99%
90%
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)
|
0.86 |
1.34 |
-47.14 |
2 |
6 |
1 |
60 |
303.386 |
4 |
↓
|
|
|
|
|
Analogs
-
1842933
-
Draw
Identity
99%
90%
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)
|
3.96 |
1.56 |
-33.37 |
1 |
2 |
1 |
13 |
262.417 |
7 |
↓
|
|
|
Analogs
-
164392
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 396 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)
|
0.37 |
3.51 |
-45.3 |
1 |
3 |
-1 |
60 |
151.141 |
2 |
↓
|
|
|
Analogs
-
2034893
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 29 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)
|
3.45 |
8.97 |
-38.55 |
1 |
3 |
1 |
31 |
236.335 |
6 |
↓
|
|
|
Analogs
-
5353020
-
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
2.42 |
-2.45 |
-46.93 |
4 |
6 |
1 |
88 |
333.408 |
8 |
↓
|
|
|
|
|
Analogs
-
4211963
-
-
11616956
-
-
11616957
-
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
3.38 |
0.08 |
-40.41 |
3 |
3 |
1 |
39 |
311.449 |
4 |
↓
|
|
|
Analogs
-
1844865
-
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)
|
2.26 |
0.86 |
-47.56 |
0 |
5 |
-1 |
71 |
284.291 |
4 |
↓
|
|
|
Analogs
-
1559439
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 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)
|
3.29 |
-1.57 |
-7.36 |
0 |
2 |
0 |
17 |
202.282 |
1 |
↓
|
|
|
Analogs
-
5138895
-
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)
|
3.45 |
-0.45 |
-4.51 |
0 |
0 |
0 |
0 |
230.423 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
3.45 |
-1.41 |
-40.76 |
0 |
0 |
-1 |
0 |
229.415 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
3.45 |
-1.41 |
-41.83 |
0 |
0 |
-1 |
0 |
229.415 |
4 |
↓
|
|
|
Analogs
-
57585
-
-
5998580
-
-
14680042
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 32 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)
|
2.42 |
3.78 |
-8.68 |
0 |
4 |
0 |
37 |
222.24 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 13 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)
|
2.52 |
-0.2 |
-40.49 |
1 |
3 |
1 |
12 |
254.357 |
0 |
↓
|
|
|
Analogs
-
66314
-
-
66315
-
-
1999274
-
Draw
Identity
99%
90%
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)
|
2.28 |
7.48 |
-35.28 |
2 |
3 |
1 |
34 |
233.335 |
3 |
↓
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 438 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)
|
1.43 |
6.59 |
-56.84 |
0 |
4 |
-1 |
66 |
179.151 |
3 |
↓
|
|
|
Analogs
-
28101468
-
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)
|
3.54 |
1.25 |
-48.65 |
0 |
2 |
-1 |
40 |
231.296 |
3 |
↓
|
|
|
|
|
|
|
Analogs
-
394477
-
-
12672106
-
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)
|
0.47 |
-0.19 |
-16.77 |
1 |
5 |
0 |
63 |
305.374 |
5 |
↓
|
|
|
Analogs
-
85733
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 132 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)
|
-0.42 |
4.81 |
-48.33 |
3 |
3 |
0 |
68 |
213.664 |
4 |
↓
|
|
|
Analogs
-
2007481
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 26 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)
|
2.22 |
-1.86 |
-47.62 |
3 |
5 |
1 |
76 |
292.355 |
7 |
↓
|
|
|
|
|
|
|
Analogs
-
1999295
-
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
2.85 |
6.89 |
-9.89 |
2 |
3 |
0 |
41 |
240.306 |
4 |
↓
|
|
|
Analogs
-
1872015
-
-
33420303
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 30 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)
|
4.53 |
-0.61 |
-46.43 |
0 |
4 |
-1 |
66 |
300.721 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 18 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)
|
3.96 |
0.72 |
-9.64 |
1 |
3 |
0 |
50 |
266.296 |
3 |
↓
|
|
|
Analogs
-
5438128
-
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)
|
5.10 |
1.55 |
-4.97 |
0 |
2 |
0 |
26 |
336.429 |
4 |
↓
|
|
|
Analogs
-
6096699
-
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)
|
2.19 |
-5.31 |
-12.11 |
2 |
5 |
0 |
67 |
298.342 |
6 |
↓
|
|
|
|
|
|
|
Analogs
-
1843001
-
-
2019505
-
-
2019507
-
Draw
Identity
99%
90%
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)
|
-1.66 |
2.85 |
-35.63 |
1 |
4 |
1 |
46 |
326.416 |
5 |
↓
|
|
|
Analogs
-
396186
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 25 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)
|
2.58 |
7.58 |
-6.66 |
1 |
3 |
0 |
47 |
242.274 |
5 |
↓
|
|
|
Analogs
-
338236
-
-
389665
-
-
1638183
-
-
2048952
-
-
3871709
-
Draw
Identity
99%
90%
80%
70%
Popular Name:
(2S,3R,4S,4aR,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-2-methylol-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c
(2S,3R,4S,4aR,10bR)-3,4,8,10-tet…
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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)
|
-0.90 |
-7.1 |
-12.49 |
5 |
9 |
0 |
146 |
328.273 |
2 |
↓
|
|