|
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)
|
1.99 |
7.85 |
-122.61 |
4 |
2 |
2 |
32 |
232.371 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
1.99 |
6.07 |
-38.08 |
3 |
2 |
1 |
31 |
231.363 |
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)
|
1.99 |
8.03 |
-123.22 |
4 |
2 |
2 |
32 |
232.371 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
1.99 |
6.3 |
-38.27 |
3 |
2 |
1 |
31 |
231.363 |
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)
|
2.89 |
9.13 |
-113.92 |
3 |
2 |
2 |
21 |
246.398 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.89 |
7.69 |
-34.03 |
2 |
2 |
1 |
20 |
245.39 |
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)
|
2.89 |
9.36 |
-116.08 |
3 |
2 |
2 |
21 |
246.398 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.89 |
7.67 |
-34 |
2 |
2 |
1 |
20 |
245.39 |
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)
|
3.27 |
10.16 |
-115.92 |
3 |
2 |
2 |
21 |
260.425 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.27 |
8.52 |
-32.84 |
2 |
2 |
1 |
20 |
259.417 |
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)
|
3.27 |
10.19 |
-115.91 |
3 |
2 |
2 |
21 |
260.425 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.27 |
8.5 |
-32.85 |
2 |
2 |
1 |
20 |
259.417 |
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)
|
3.77 |
10.92 |
-117.98 |
3 |
2 |
2 |
21 |
274.452 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
3.77 |
9.28 |
-33.51 |
2 |
2 |
1 |
20 |
273.444 |
6 |
↓
|
|
|
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)
|
3.77 |
10.94 |
-117.84 |
3 |
2 |
2 |
21 |
274.452 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
3.77 |
9.27 |
-33.46 |
2 |
2 |
1 |
20 |
273.444 |
6 |
↓
|
|
|
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)
|
2.75 |
8.7 |
-40.79 |
2 |
3 |
1 |
40 |
270.4 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.75 |
6.52 |
-7.16 |
1 |
3 |
0 |
39 |
269.392 |
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)
|
2.75 |
8.18 |
-40.94 |
2 |
3 |
1 |
40 |
270.4 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.75 |
7.28 |
-4.71 |
1 |
3 |
0 |
39 |
269.392 |
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)
|
2.38 |
7.16 |
-39.51 |
3 |
3 |
1 |
54 |
256.373 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
2.38 |
5.41 |
-6.86 |
2 |
3 |
0 |
53 |
255.365 |
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)
|
2.38 |
7.33 |
-43.12 |
3 |
3 |
1 |
54 |
256.373 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
2.38 |
6.42 |
-8.92 |
2 |
3 |
0 |
53 |
255.365 |
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)
|
3.13 |
9.4 |
-39.33 |
2 |
3 |
1 |
40 |
284.427 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.13 |
7.77 |
-9.08 |
1 |
3 |
0 |
39 |
283.419 |
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)
|
3.13 |
9.76 |
-41.92 |
2 |
3 |
1 |
40 |
284.427 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.13 |
9.34 |
-4.38 |
1 |
3 |
0 |
39 |
283.419 |
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)
|
2.48 |
7.12 |
-36.34 |
2 |
2 |
1 |
25 |
232.347 |
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)
|
2.48 |
7.36 |
-36.54 |
2 |
2 |
1 |
25 |
232.347 |
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)
|
2.97 |
8.3 |
-116.07 |
4 |
2 |
2 |
32 |
246.398 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
2.97 |
6.68 |
-36.82 |
3 |
2 |
1 |
31 |
245.39 |
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)
|
2.97 |
7.76 |
-115.53 |
4 |
2 |
2 |
32 |
246.398 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
2.97 |
6.83 |
-38.49 |
3 |
2 |
1 |
31 |
245.39 |
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)
|
-0.14 |
8.37 |
-69.48 |
4 |
4 |
1 |
72 |
275.372 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.14 |
6.1 |
-36.64 |
3 |
4 |
0 |
71 |
274.364 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.14 |
8.67 |
-35.12 |
3 |
4 |
0 |
71 |
274.364 |
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)
|
-0.14 |
8.5 |
-71.65 |
4 |
4 |
1 |
72 |
275.372 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.14 |
8.24 |
-36.84 |
3 |
4 |
0 |
71 |
274.364 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.14 |
6.79 |
-35.1 |
3 |
4 |
0 |
71 |
274.364 |
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)
|
1.32 |
4.58 |
-42.87 |
5 |
4 |
1 |
74 |
274.388 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
1.32 |
3.01 |
-9.25 |
4 |
4 |
0 |
72 |
273.38 |
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)
|
1.32 |
4.63 |
-34.72 |
5 |
4 |
1 |
74 |
274.388 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
1.32 |
3.11 |
-6.97 |
4 |
4 |
0 |
72 |
273.38 |
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)
|
0.23 |
8.15 |
-36.53 |
2 |
4 |
0 |
60 |
288.391 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.23 |
9.08 |
-36.18 |
2 |
4 |
0 |
57 |
288.391 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
0.23 |
9.93 |
-68.38 |
3 |
4 |
1 |
61 |
289.399 |
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)
|
0.23 |
9.79 |
-32.26 |
2 |
4 |
0 |
60 |
288.391 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.23 |
9.36 |
-30.62 |
2 |
4 |
0 |
57 |
288.391 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
0.23 |
9.39 |
-64.59 |
3 |
4 |
1 |
61 |
289.399 |
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)
|
2.45 |
8.09 |
-37.14 |
3 |
4 |
1 |
57 |
289.399 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.45 |
6.7 |
-4.48 |
2 |
4 |
0 |
56 |
288.391 |
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)
|
2.45 |
8.44 |
-33.82 |
3 |
4 |
1 |
57 |
289.399 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.45 |
7.01 |
-4.81 |
2 |
4 |
0 |
56 |
288.391 |
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)
|
1.70 |
4.78 |
-36.64 |
4 |
4 |
1 |
60 |
288.415 |
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)
|
1.70 |
6.38 |
-38.73 |
4 |
4 |
1 |
60 |
288.415 |
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)
|
2.33 |
6.67 |
-32.3 |
3 |
3 |
1 |
37 |
275.416 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.33 |
6.27 |
-30.75 |
3 |
3 |
1 |
40 |
275.416 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.33 |
7.14 |
-105.63 |
4 |
3 |
2 |
41 |
276.424 |
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)
|
2.33 |
5.29 |
-36.2 |
3 |
3 |
1 |
37 |
275.416 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.33 |
6.37 |
-32.85 |
3 |
3 |
1 |
40 |
275.416 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.33 |
7.23 |
-108.64 |
4 |
3 |
2 |
41 |
276.424 |
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)
|
2.71 |
8.29 |
-106.74 |
4 |
3 |
2 |
41 |
290.451 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.71 |
7.92 |
-30.07 |
3 |
3 |
1 |
37 |
289.443 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.71 |
7.05 |
-29.61 |
3 |
3 |
1 |
40 |
289.443 |
6 |
↓
|
|
|
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)
|
2.71 |
6.77 |
-103.68 |
4 |
3 |
2 |
41 |
290.451 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.71 |
7.07 |
-29.92 |
3 |
3 |
1 |
37 |
289.443 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.71 |
7.12 |
-30.88 |
3 |
3 |
1 |
40 |
289.443 |
6 |
↓
|
|