|
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)
|
2.14 |
8.89 |
-42.2 |
0 |
5 |
-1 |
70 |
332.401 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
2.14 |
6.93 |
-12.45 |
1 |
5 |
0 |
67 |
333.409 |
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)
|
2.14 |
8.54 |
-47.97 |
0 |
5 |
-1 |
70 |
332.401 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
2.14 |
5.95 |
-12.34 |
1 |
5 |
0 |
67 |
333.409 |
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)
|
2.14 |
9.2 |
-50.38 |
0 |
5 |
-1 |
70 |
332.401 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
2.14 |
7.27 |
-11.97 |
1 |
5 |
0 |
67 |
333.409 |
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)
|
2.14 |
8.5 |
-49.62 |
0 |
5 |
-1 |
70 |
332.401 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
2.14 |
6.19 |
-15.91 |
1 |
5 |
0 |
67 |
333.409 |
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)
|
1.14 |
5.39 |
-52.59 |
3 |
3 |
1 |
48 |
247.343 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.14 |
5.12 |
-7.57 |
2 |
3 |
0 |
46 |
246.335 |
1 |
↓
|
|
|
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)
|
1.14 |
4.55 |
-59.86 |
3 |
3 |
1 |
48 |
247.343 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.14 |
4.23 |
-8.4 |
2 |
3 |
0 |
46 |
246.335 |
1 |
↓
|
|
|
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)
|
1.14 |
5.18 |
-60.39 |
3 |
3 |
1 |
48 |
247.343 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.14 |
4.88 |
-9.01 |
2 |
3 |
0 |
46 |
246.335 |
1 |
↓
|
|
|
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)
|
1.14 |
4.68 |
-50.63 |
3 |
3 |
1 |
48 |
247.343 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.14 |
4.39 |
-8.87 |
2 |
3 |
0 |
46 |
246.335 |
1 |
↓
|
|
|
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)
|
1.51 |
6.37 |
-52.46 |
3 |
3 |
1 |
48 |
261.37 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.51 |
6.09 |
-7.34 |
2 |
3 |
0 |
46 |
260.362 |
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)
|
1.51 |
5.5 |
-59.63 |
3 |
3 |
1 |
48 |
261.37 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.51 |
5.18 |
-8.1 |
2 |
3 |
0 |
46 |
260.362 |
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)
|
1.51 |
6.15 |
-60.31 |
3 |
3 |
1 |
48 |
261.37 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.51 |
5.86 |
-8.91 |
2 |
3 |
0 |
46 |
260.362 |
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)
|
1.51 |
5.67 |
-50.77 |
3 |
3 |
1 |
48 |
261.37 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.51 |
5.39 |
-8.56 |
2 |
3 |
0 |
46 |
260.362 |
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)
|
2.01 |
7.12 |
-52.78 |
3 |
3 |
1 |
48 |
275.397 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.01 |
6.85 |
-7.26 |
2 |
3 |
0 |
46 |
274.389 |
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)
|
2.01 |
6.26 |
-59.83 |
3 |
3 |
1 |
48 |
275.397 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.01 |
5.94 |
-7.99 |
2 |
3 |
0 |
46 |
274.389 |
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)
|
2.01 |
6.91 |
-60.78 |
3 |
3 |
1 |
48 |
275.397 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.01 |
6.62 |
-8.82 |
2 |
3 |
0 |
46 |
274.389 |
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)
|
2.01 |
6.43 |
-50.84 |
3 |
3 |
1 |
48 |
275.397 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.01 |
6.15 |
-8.43 |
2 |
3 |
0 |
46 |
274.389 |
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)
|
1.81 |
6.74 |
-52.18 |
3 |
3 |
1 |
48 |
275.397 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.81 |
6.47 |
-6.91 |
2 |
3 |
0 |
46 |
274.389 |
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)
|
1.81 |
5.86 |
-59.04 |
3 |
3 |
1 |
48 |
275.397 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.81 |
6.14 |
-6.74 |
2 |
3 |
0 |
46 |
274.389 |
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)
|
1.81 |
6.53 |
-60.38 |
3 |
3 |
1 |
48 |
275.397 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.81 |
6.23 |
-8.32 |
2 |
3 |
0 |
46 |
274.389 |
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)
|
1.81 |
6.61 |
-52.31 |
3 |
3 |
1 |
48 |
275.397 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.81 |
5.85 |
-7.77 |
2 |
3 |
0 |
46 |
274.389 |
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)
|
2.32 |
6.94 |
-51.19 |
3 |
3 |
1 |
48 |
289.424 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.32 |
6.64 |
-6.27 |
2 |
3 |
0 |
46 |
288.416 |
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)
|
2.32 |
6.66 |
-59.16 |
3 |
3 |
1 |
48 |
289.424 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.32 |
5.61 |
-7.32 |
2 |
3 |
0 |
46 |
288.416 |
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)
|
2.32 |
6.74 |
-59.28 |
3 |
3 |
1 |
48 |
289.424 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.32 |
6.43 |
-7.77 |
2 |
3 |
0 |
46 |
288.416 |
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)
|
2.32 |
6.82 |
-51.44 |
3 |
3 |
1 |
48 |
289.424 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.32 |
5.96 |
-7.49 |
2 |
3 |
0 |
46 |
288.416 |
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)
|
2.26 |
7.67 |
-52.34 |
3 |
3 |
1 |
48 |
289.424 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.26 |
7.4 |
-6.66 |
2 |
3 |
0 |
46 |
288.416 |
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)
|
2.26 |
6.93 |
-59.98 |
3 |
3 |
1 |
48 |
289.424 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.26 |
6.61 |
-7.82 |
2 |
3 |
0 |
46 |
288.416 |
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)
|
2.26 |
7.45 |
-60.78 |
3 |
3 |
1 |
48 |
289.424 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.26 |
7.16 |
-8.19 |
2 |
3 |
0 |
46 |
288.416 |
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)
|
2.26 |
7.09 |
-50.93 |
3 |
3 |
1 |
48 |
289.424 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.26 |
6.82 |
-8.26 |
2 |
3 |
0 |
46 |
288.416 |
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)
|
1.12 |
5.52 |
-49.14 |
3 |
4 |
1 |
57 |
291.396 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
1.12 |
5.25 |
-7.03 |
2 |
4 |
0 |
56 |
290.388 |
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)
|
1.12 |
4.59 |
-61 |
3 |
4 |
1 |
57 |
291.396 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
1.12 |
4.26 |
-9.94 |
2 |
4 |
0 |
56 |
290.388 |
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)
|
1.12 |
5.3 |
-55.46 |
3 |
4 |
1 |
57 |
291.396 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
1.12 |
5.01 |
-8.52 |
2 |
4 |
0 |
56 |
290.388 |
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)
|
1.12 |
4.76 |
-52.38 |
3 |
4 |
1 |
57 |
291.396 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
1.12 |
4.49 |
-10.37 |
2 |
4 |
0 |
56 |
290.388 |
4 |
↓
|
|