|
Analogs
-
19821502
-
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)
|
0.59 |
6.71 |
-39.79 |
3 |
4 |
1 |
49 |
291.415 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.59 |
7.03 |
-136.15 |
4 |
4 |
2 |
51 |
292.423 |
3 |
↓
|
|
|
Analogs
-
19821502
-
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)
|
0.59 |
6.7 |
-38.92 |
3 |
4 |
1 |
49 |
291.415 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.59 |
7.05 |
-133.38 |
4 |
4 |
2 |
51 |
292.423 |
3 |
↓
|
|
|
Analogs
-
19821502
-
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)
|
0.59 |
6.7 |
-38.97 |
3 |
4 |
1 |
49 |
291.415 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.59 |
7.05 |
-133.86 |
4 |
4 |
2 |
51 |
292.423 |
3 |
↓
|
|
|
Analogs
-
19821502
-
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)
|
0.53 |
6.34 |
-35.97 |
3 |
4 |
1 |
49 |
291.415 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
0.53 |
4.17 |
-5.14 |
2 |
4 |
0 |
48 |
290.407 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.53 |
6.6 |
-121.96 |
4 |
4 |
2 |
51 |
292.423 |
3 |
↓
|
|
|
Analogs
-
19821502
-
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)
|
0.53 |
6.26 |
-36.33 |
3 |
4 |
1 |
49 |
291.415 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.53 |
6.59 |
-127.42 |
4 |
4 |
2 |
51 |
292.423 |
3 |
↓
|
|
|
Analogs
-
19821502
-
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)
|
0.53 |
6.14 |
-36.08 |
3 |
4 |
1 |
49 |
291.415 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.53 |
6.47 |
-129.16 |
4 |
4 |
2 |
51 |
292.423 |
3 |
↓
|
|
|
Analogs
-
19821502
-
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)
|
0.20 |
6.02 |
-37.24 |
3 |
4 |
1 |
49 |
277.388 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.20 |
6.36 |
-129.86 |
4 |
4 |
2 |
51 |
278.396 |
3 |
↓
|
|
|
Analogs
-
19821502
-
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)
|
0.20 |
5.74 |
-34.69 |
3 |
4 |
1 |
49 |
277.388 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.20 |
6.04 |
-123.69 |
4 |
4 |
2 |
51 |
278.396 |
3 |
↓
|
|
|
Analogs
-
19821502
-
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)
|
0.11 |
6.04 |
-36.02 |
3 |
4 |
1 |
49 |
277.388 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.11 |
6.42 |
-134.21 |
4 |
4 |
2 |
51 |
278.396 |
3 |
↓
|
|
|
Analogs
-
19821502
-
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)
|
0.11 |
6.04 |
-36.02 |
3 |
4 |
1 |
49 |
277.388 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.11 |
6.47 |
-134.03 |
4 |
4 |
2 |
51 |
278.396 |
3 |
↓
|
|
|
Analogs
-
19821502
-
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)
|
0.74 |
6.53 |
-34.43 |
3 |
4 |
1 |
49 |
291.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.74 |
6.94 |
-132.15 |
4 |
4 |
2 |
51 |
292.423 |
4 |
↓
|
|
|
Analogs
-
19821502
-
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)
|
0.74 |
6.97 |
-34.88 |
3 |
4 |
1 |
49 |
291.415 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.74 |
7.06 |
-132.39 |
4 |
4 |
2 |
51 |
292.423 |
4 |
↓
|
|
|
Analogs
-
37877512
-
-
37877513
-
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)
|
2.21 |
5.84 |
-40.17 |
2 |
4 |
1 |
38 |
291.415 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.21 |
8.08 |
-110.66 |
3 |
4 |
2 |
40 |
292.423 |
5 |
↓
|
|
|
Analogs
-
37877512
-
-
37877513
-
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)
|
1.83 |
5 |
-41.4 |
2 |
4 |
1 |
38 |
277.388 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.83 |
7.23 |
-109.99 |
3 |
4 |
2 |
40 |
278.396 |
4 |
↓
|
|