|
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)
|
0.36 |
4.39 |
-46.71 |
2 |
4 |
1 |
54 |
211.285 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.36 |
3.31 |
-8.06 |
1 |
4 |
0 |
49 |
210.277 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.36 |
3.29 |
-6.45 |
1 |
4 |
0 |
49 |
210.277 |
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)
|
0.36 |
4.36 |
-47.08 |
2 |
4 |
1 |
54 |
211.285 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.36 |
3.49 |
-8.77 |
1 |
4 |
0 |
49 |
210.277 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.36 |
3.48 |
-6.5 |
1 |
4 |
0 |
49 |
210.277 |
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)
|
0.74 |
5.28 |
-46.27 |
2 |
4 |
1 |
54 |
225.312 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.74 |
4.38 |
-8.48 |
1 |
4 |
0 |
49 |
224.304 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.74 |
4.39 |
-6.47 |
1 |
4 |
0 |
49 |
224.304 |
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)
|
0.74 |
5.46 |
-47.56 |
2 |
4 |
1 |
54 |
225.312 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.74 |
4.31 |
-7.59 |
1 |
4 |
0 |
49 |
224.304 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.74 |
4.33 |
-6.27 |
1 |
4 |
0 |
49 |
224.304 |
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)
|
0.12 |
2.09 |
-47.18 |
3 |
4 |
1 |
63 |
197.258 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.30 |
-0.5 |
-40.07 |
2 |
4 |
0 |
69 |
196.25 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.30 |
-0.46 |
-41.49 |
2 |
4 |
0 |
69 |
196.25 |
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)
|
0.12 |
2.07 |
-47.68 |
3 |
4 |
1 |
63 |
197.258 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.30 |
-0.38 |
-41.97 |
2 |
4 |
0 |
69 |
196.25 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.30 |
-0.46 |
-40.25 |
2 |
4 |
0 |
69 |
196.25 |
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)
|
0.90 |
5.01 |
-47.48 |
2 |
4 |
1 |
54 |
225.312 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.90 |
4.12 |
-7.72 |
1 |
4 |
0 |
49 |
224.304 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.90 |
3.91 |
-6 |
1 |
4 |
0 |
49 |
224.304 |
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)
|
0.90 |
4.84 |
-46.59 |
2 |
4 |
1 |
54 |
225.312 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.90 |
3.99 |
-8.19 |
1 |
4 |
0 |
49 |
224.304 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.90 |
3.85 |
-5.69 |
1 |
4 |
0 |
49 |
224.304 |
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)
|
0.65 |
2.71 |
-48 |
3 |
4 |
1 |
63 |
211.285 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
0.84 |
0.01 |
-40.73 |
2 |
4 |
0 |
69 |
210.277 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
0.84 |
0.17 |
-41.54 |
2 |
4 |
0 |
69 |
210.277 |
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)
|
0.65 |
2.55 |
-47.17 |
3 |
4 |
1 |
63 |
211.285 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
0.84 |
0.16 |
-41.56 |
2 |
4 |
0 |
69 |
210.277 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
0.84 |
-0 |
-41.9 |
2 |
4 |
0 |
69 |
210.277 |
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)
|
1.24 |
6.15 |
-46.41 |
2 |
4 |
1 |
54 |
239.339 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.24 |
5.14 |
-8.36 |
1 |
4 |
0 |
49 |
238.331 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.24 |
5.15 |
-6.35 |
1 |
4 |
0 |
49 |
238.331 |
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)
|
1.24 |
6.1 |
-46.78 |
2 |
4 |
1 |
54 |
239.339 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.24 |
5.07 |
-7.45 |
1 |
4 |
0 |
49 |
238.331 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.24 |
5.05 |
-6.04 |
1 |
4 |
0 |
49 |
238.331 |
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)
|
1.57 |
7.01 |
-45.62 |
2 |
4 |
1 |
54 |
253.366 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.57 |
6.01 |
-7.7 |
1 |
4 |
0 |
49 |
252.358 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.57 |
6.01 |
-5.78 |
1 |
4 |
0 |
49 |
252.358 |
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)
|
1.57 |
7.01 |
-45.5 |
2 |
4 |
1 |
54 |
253.366 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.57 |
6.01 |
-7.67 |
1 |
4 |
0 |
49 |
252.358 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.57 |
6.01 |
-5.83 |
1 |
4 |
0 |
49 |
252.358 |
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)
|
2.10 |
8.09 |
-45.45 |
2 |
4 |
1 |
54 |
267.393 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
2.10 |
7.08 |
-7.38 |
1 |
4 |
0 |
49 |
266.385 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
2.10 |
7.09 |
-5.58 |
1 |
4 |
0 |
49 |
266.385 |
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)
|
2.10 |
8.04 |
-45.89 |
2 |
4 |
1 |
54 |
267.393 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
2.10 |
7.01 |
-6.6 |
1 |
4 |
0 |
49 |
266.385 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
2.10 |
7 |
-5.21 |
1 |
4 |
0 |
49 |
266.385 |
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)
|
1.03 |
5.94 |
-45.79 |
2 |
4 |
1 |
54 |
239.339 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
1.03 |
4.84 |
-5.79 |
1 |
4 |
0 |
49 |
238.331 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
1.03 |
4.86 |
-7.41 |
1 |
4 |
0 |
49 |
238.331 |
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)
|
1.03 |
5.91 |
-46.09 |
2 |
4 |
1 |
54 |
239.339 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
1.03 |
5.03 |
-5.87 |
1 |
4 |
0 |
49 |
238.331 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
1.03 |
4.92 |
-7.96 |
1 |
4 |
0 |
49 |
238.331 |
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)
|
1.77 |
6.31 |
-44.23 |
2 |
4 |
1 |
54 |
253.366 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
1.77 |
5.74 |
-7.89 |
1 |
4 |
0 |
49 |
252.358 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
1.77 |
5.68 |
-5.47 |
1 |
4 |
0 |
49 |
252.358 |
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)
|
1.77 |
6.51 |
-46.38 |
2 |
4 |
1 |
54 |
253.366 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
1.77 |
5.63 |
-7.36 |
1 |
4 |
0 |
49 |
252.358 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
1.77 |
5.71 |
-5.65 |
1 |
4 |
0 |
49 |
252.358 |
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)
|
2.10 |
7.17 |
-43.6 |
2 |
4 |
1 |
54 |
267.393 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
2.10 |
6.61 |
-7.18 |
1 |
4 |
0 |
49 |
266.385 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
2.10 |
6.55 |
-4.94 |
1 |
4 |
0 |
49 |
266.385 |
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)
|
2.10 |
7.17 |
-43.46 |
2 |
4 |
1 |
54 |
267.393 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
2.10 |
6.6 |
-7.29 |
1 |
4 |
0 |
49 |
266.385 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
2.10 |
6.55 |
-4.99 |
1 |
4 |
0 |
49 |
266.385 |
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)
|
2.64 |
8.69 |
-46.23 |
2 |
4 |
1 |
54 |
281.42 |
8 |
↓
|
Hi
High (pH 8-9.5)
|
2.64 |
7.6 |
-4.7 |
1 |
4 |
0 |
49 |
280.412 |
8 |
↓
|
Hi
High (pH 8-9.5)
|
2.64 |
7.8 |
-6.36 |
1 |
4 |
0 |
49 |
280.412 |
8 |
↓
|
|
|
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)
|
2.64 |
8.52 |
-45.27 |
2 |
4 |
1 |
54 |
281.42 |
8 |
↓
|
Hi
High (pH 8-9.5)
|
2.64 |
7.53 |
-4.53 |
1 |
4 |
0 |
49 |
280.412 |
8 |
↓
|
Hi
High (pH 8-9.5)
|
2.64 |
7.78 |
-6.92 |
1 |
4 |
0 |
49 |
280.412 |
8 |
↓
|
|
|
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)
|
1.57 |
6.4 |
-43.38 |
2 |
4 |
1 |
54 |
253.366 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.57 |
5.67 |
-7.05 |
1 |
4 |
0 |
49 |
252.358 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.57 |
5.46 |
-5.29 |
1 |
4 |
0 |
49 |
252.358 |
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)
|
1.57 |
6.54 |
-46.47 |
2 |
4 |
1 |
54 |
253.366 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.57 |
5.55 |
-7.49 |
1 |
4 |
0 |
49 |
252.358 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.57 |
5.4 |
-5.04 |
1 |
4 |
0 |
49 |
252.358 |
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)
|
1.27 |
5.84 |
-43.83 |
2 |
4 |
1 |
54 |
239.339 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.27 |
5.1 |
-7.47 |
1 |
4 |
0 |
49 |
238.331 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.27 |
4.9 |
-5.73 |
1 |
4 |
0 |
49 |
238.331 |
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)
|
1.27 |
5.98 |
-47.02 |
2 |
4 |
1 |
54 |
239.339 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.27 |
4.99 |
-7.91 |
1 |
4 |
0 |
49 |
238.331 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.27 |
4.83 |
-5.47 |
1 |
4 |
0 |
49 |
238.331 |
6 |
↓
|
|