|
|
|
Analogs
-
23358699
-
-
19744496
-
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)
|
1.78 |
4.99 |
-48.39 |
3 |
5 |
1 |
58 |
346.495 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
1.78 |
3.85 |
-10.42 |
2 |
5 |
0 |
54 |
345.487 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
1.78 |
6.99 |
-121.57 |
4 |
5 |
2 |
59 |
347.503 |
7 |
↓
|
|
|
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)
|
1.15 |
5.38 |
-96.37 |
4 |
3 |
2 |
35 |
261.413 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
1.15 |
2.66 |
-43.57 |
3 |
3 |
1 |
34 |
260.405 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
1.15 |
5.08 |
-127.38 |
4 |
3 |
2 |
35 |
261.413 |
3 |
↓
|
|
|
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)
|
1.15 |
5.35 |
-102.35 |
4 |
3 |
2 |
35 |
261.413 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
1.15 |
2.96 |
-43.83 |
3 |
3 |
1 |
34 |
260.405 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
1.15 |
5.09 |
-128.08 |
4 |
3 |
2 |
35 |
261.413 |
3 |
↓
|
|
|
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)
|
-0.41 |
5.49 |
-103.13 |
4 |
3 |
2 |
35 |
247.386 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-0.41 |
2.77 |
-2.88 |
2 |
3 |
0 |
32 |
245.37 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.41 |
5.19 |
-36.21 |
3 |
3 |
1 |
34 |
246.378 |
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)
|
-0.41 |
5.54 |
-101.03 |
4 |
3 |
2 |
35 |
247.386 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-0.41 |
2.8 |
-2.71 |
2 |
3 |
0 |
32 |
245.37 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.41 |
5.2 |
-36.8 |
3 |
3 |
1 |
34 |
246.378 |
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)
|
2.21 |
6.58 |
-35.2 |
2 |
3 |
1 |
20 |
274.432 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.21 |
4.8 |
-2.65 |
1 |
3 |
0 |
19 |
273.424 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.21 |
7.2 |
-37.29 |
2 |
3 |
1 |
20 |
274.432 |
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)
|
2.21 |
6.28 |
-33.33 |
2 |
3 |
1 |
20 |
274.432 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.21 |
3.69 |
-2.15 |
1 |
3 |
0 |
19 |
273.424 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.21 |
6.08 |
-33.05 |
2 |
3 |
1 |
20 |
274.432 |
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)
|
2.21 |
5.86 |
-34.84 |
2 |
3 |
1 |
20 |
274.432 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.21 |
4.19 |
-36.32 |
2 |
3 |
1 |
23 |
274.432 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.21 |
3.05 |
-2.42 |
1 |
3 |
0 |
19 |
273.424 |
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)
|
2.21 |
7.4 |
-31.52 |
2 |
3 |
1 |
20 |
274.432 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.21 |
5.77 |
-33.39 |
2 |
3 |
1 |
23 |
274.432 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.21 |
6.31 |
-31.52 |
2 |
3 |
1 |
20 |
274.432 |
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)
|
1.84 |
7.25 |
-88.76 |
3 |
3 |
2 |
24 |
261.413 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
1.84 |
3.7 |
-2.63 |
1 |
3 |
0 |
19 |
259.397 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
1.84 |
6.09 |
-38.02 |
2 |
3 |
1 |
20 |
260.405 |
3 |
↓
|
|
|
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)
|
1.84 |
6.61 |
-90.21 |
3 |
3 |
2 |
24 |
261.413 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
1.84 |
2.77 |
-2.33 |
1 |
3 |
0 |
19 |
259.397 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
1.84 |
5.16 |
-33.08 |
2 |
3 |
1 |
20 |
260.405 |
3 |
↓
|
|
|
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)
|
1.84 |
6.17 |
-89.2 |
3 |
3 |
2 |
24 |
261.413 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
1.84 |
2.55 |
-3.62 |
1 |
3 |
0 |
19 |
259.397 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
1.84 |
4.95 |
-36.31 |
2 |
3 |
1 |
20 |
260.405 |
3 |
↓
|
|
|
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)
|
1.84 |
7.35 |
-90.71 |
3 |
3 |
2 |
24 |
261.413 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
1.84 |
3 |
-2.22 |
1 |
3 |
0 |
19 |
259.397 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
1.84 |
5.4 |
-31.63 |
2 |
3 |
1 |
20 |
260.405 |
3 |
↓
|
|
|
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)
|
2.72 |
8.83 |
-88.91 |
3 |
3 |
2 |
24 |
289.467 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.72 |
5.38 |
-2.35 |
1 |
3 |
0 |
19 |
287.451 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.72 |
7.77 |
-38 |
2 |
3 |
1 |
20 |
288.459 |
5 |
↓
|
|
|
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)
|
2.72 |
7.69 |
-93.19 |
3 |
3 |
2 |
24 |
289.467 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.72 |
6.72 |
-34.74 |
2 |
3 |
1 |
20 |
288.459 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.72 |
4.33 |
-1.7 |
1 |
3 |
0 |
19 |
287.451 |
5 |
↓
|
|
|
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)
|
2.72 |
7.34 |
-88.65 |
3 |
3 |
2 |
24 |
289.467 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.72 |
4.95 |
-37.05 |
2 |
3 |
1 |
23 |
288.459 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.72 |
6.21 |
-37.18 |
2 |
3 |
1 |
20 |
288.459 |
5 |
↓
|
|
|
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)
|
2.72 |
8.92 |
-88.2 |
3 |
3 |
2 |
24 |
289.467 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.72 |
4.55 |
-1.48 |
1 |
3 |
0 |
19 |
287.451 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.72 |
6.94 |
-35.26 |
2 |
3 |
1 |
20 |
288.459 |
5 |
↓
|
|
|
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)
|
1.28 |
4.54 |
-33.47 |
2 |
3 |
1 |
28 |
247.362 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.28 |
2.26 |
-4.58 |
1 |
3 |
0 |
27 |
246.354 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.28 |
4.67 |
-34.91 |
2 |
3 |
1 |
28 |
247.362 |
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)
|
1.28 |
4.55 |
-33.24 |
2 |
3 |
1 |
28 |
247.362 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.28 |
2.28 |
-4.17 |
1 |
3 |
0 |
27 |
246.354 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.28 |
4.68 |
-36.29 |
2 |
3 |
1 |
28 |
247.362 |
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)
|
2.04 |
5.8 |
-33.68 |
2 |
3 |
1 |
28 |
275.416 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.04 |
7.81 |
-106.46 |
3 |
3 |
2 |
29 |
276.424 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.04 |
5.69 |
-34.65 |
2 |
3 |
1 |
28 |
275.416 |
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)
|
2.04 |
5.82 |
-33.36 |
2 |
3 |
1 |
28 |
275.416 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.04 |
7.94 |
-105.64 |
3 |
3 |
2 |
29 |
276.424 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.04 |
5.71 |
-34.19 |
2 |
3 |
1 |
28 |
275.416 |
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)
|
1.90 |
6.42 |
-95.93 |
4 |
3 |
2 |
35 |
289.467 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
1.90 |
4.36 |
-43.53 |
3 |
3 |
1 |
34 |
288.459 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.90 |
8.53 |
-223.26 |
5 |
3 |
3 |
37 |
290.475 |
5 |
↓
|
|
|
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)
|
1.90 |
6.4 |
-93.11 |
4 |
3 |
2 |
35 |
289.467 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
1.90 |
4.35 |
-47.66 |
3 |
3 |
1 |
34 |
288.459 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.90 |
6.22 |
-132.64 |
4 |
3 |
2 |
35 |
289.467 |
5 |
↓
|
|
|
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)
|
0.34 |
6.12 |
-34.63 |
3 |
3 |
1 |
34 |
274.432 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.34 |
4.08 |
-2.45 |
2 |
3 |
0 |
32 |
273.424 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.34 |
6.38 |
-93.41 |
4 |
3 |
2 |
35 |
275.44 |
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)
|
0.34 |
6.33 |
-35.12 |
3 |
3 |
1 |
34 |
274.432 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.34 |
4.12 |
-2.35 |
2 |
3 |
0 |
32 |
273.424 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.34 |
6.52 |
-100.29 |
4 |
3 |
2 |
35 |
275.44 |
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)
|
2.59 |
8.32 |
-96.61 |
3 |
3 |
2 |
24 |
289.467 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.59 |
5.22 |
-2.06 |
1 |
3 |
0 |
19 |
287.451 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.59 |
7.28 |
-34.88 |
2 |
3 |
1 |
20 |
288.459 |
5 |
↓
|
|
|
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)
|
2.59 |
8.31 |
-88.64 |
3 |
3 |
2 |
24 |
289.467 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.59 |
5.03 |
-2.39 |
1 |
3 |
0 |
19 |
287.451 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.59 |
7.18 |
-35.87 |
2 |
3 |
1 |
20 |
288.459 |
5 |
↓
|
|