|
Analogs
-
18096552
-
-
3096113
-
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)
|
5.65 |
9.49 |
-50.74 |
0 |
3 |
-1 |
52 |
304.369 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
5.65 |
8.62 |
-9.15 |
1 |
3 |
0 |
50 |
305.377 |
4 |
↓
|
|
|
Analogs
-
18096552
-
-
16291587
-
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)
|
4.97 |
9.21 |
-53.13 |
0 |
3 |
-1 |
52 |
298.321 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
4.97 |
8.34 |
-10.24 |
1 |
3 |
0 |
50 |
299.329 |
1 |
↓
|
|
|
|
|
|
|
|
|
Analogs
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)
|
3.83 |
7.47 |
-123.21 |
0 |
5 |
-2 |
93 |
291.262 |
2 |
↓
|
Ref
Reference (pH 7)
|
2.36 |
8.7 |
-60.67 |
0 |
5 |
-1 |
87 |
292.27 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.36 |
8.17 |
-55.98 |
0 |
5 |
-1 |
87 |
292.27 |
2 |
↓
|
|
|
Analogs
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)
|
4.21 |
8.84 |
-7.54 |
0 |
3 |
0 |
47 |
352.604 |
1 |
↓
|
|
|
|
|
Analogs
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)
|
1.01 |
2.25 |
-14.54 |
2 |
6 |
0 |
107 |
328.349 |
2 |
↓
|
|
|
Analogs
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)
|
2.27 |
7.73 |
-13.18 |
0 |
4 |
0 |
59 |
300.317 |
1 |
↓
|
Lo
Low (pH 4.5-6)
|
2.27 |
8.24 |
-39.32 |
1 |
4 |
1 |
61 |
301.325 |
1 |
↓
|
|
|
Analogs
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)
|
2.25 |
8.43 |
-14.6 |
0 |
6 |
0 |
92 |
294.266 |
2 |
↓
|
|
|
Analogs
-
13115246
-
-
16490835
-
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)
|
5.78 |
9.55 |
-52.52 |
0 |
4 |
-1 |
62 |
334.395 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
5.78 |
8.24 |
-9.4 |
1 |
4 |
0 |
59 |
335.403 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
5.78 |
8.68 |
-9.4 |
1 |
4 |
0 |
59 |
335.403 |
6 |
↓
|
|
|
Analogs
-
12445697
-
-
12462190
-
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)
|
3.67 |
7.68 |
-110.7 |
0 |
5 |
-2 |
93 |
291.262 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
3.67 |
6.81 |
-54.88 |
1 |
5 |
-1 |
90 |
292.27 |
2 |
↓
|
|
|
Analogs
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)
|
5.07 |
10.59 |
-56.3 |
0 |
3 |
-1 |
52 |
324.359 |
1 |
↓
|
Ref
Reference (pH 7)
|
5.07 |
10.05 |
-53.24 |
0 |
3 |
-1 |
52 |
324.359 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
5.07 |
9.71 |
-11.25 |
1 |
3 |
0 |
50 |
325.367 |
1 |
↓
|
|
|
|
|
|
|
Analogs
-
25809294
-
-
39379301
-
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)
|
4.61 |
8.27 |
-52.92 |
0 |
3 |
-1 |
52 |
276.315 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
4.61 |
7.8 |
-51.72 |
0 |
3 |
-1 |
52 |
276.315 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
4.61 |
6.96 |
-9.57 |
1 |
3 |
0 |
50 |
277.323 |
1 |
↓
|
|
|
|
|
Analogs
-
13115246
-
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)
|
2.05 |
5.02 |
-11.36 |
1 |
4 |
0 |
67 |
265.268 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
2.05 |
4.5 |
-9.87 |
1 |
4 |
0 |
67 |
265.268 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.52 |
3.48 |
-11.08 |
2 |
4 |
0 |
70 |
265.268 |
1 |
↓
|
|
|
Analogs
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)
|
1.84 |
4.44 |
-9.24 |
1 |
4 |
0 |
67 |
265.268 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
3.31 |
4.29 |
-53.63 |
1 |
4 |
-1 |
73 |
264.26 |
1 |
↓
|
|
|
Analogs
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)
|
3.19 |
8.29 |
-9.87 |
0 |
3 |
0 |
47 |
317.266 |
2 |
↓
|
|
|
Analogs
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)
|
2.23 |
7.81 |
-49.32 |
0 |
5 |
-1 |
87 |
292.27 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
3.70 |
7.52 |
-96.21 |
0 |
5 |
-2 |
93 |
291.262 |
2 |
↓
|
|
|
Analogs
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)
|
2.28 |
8 |
-10.76 |
0 |
6 |
0 |
92 |
294.266 |
2 |
↓
|
|