|
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)
|
0.87 |
8.62 |
-55.85 |
1 |
6 |
0 |
82 |
296.367 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.87 |
6.14 |
-49.69 |
0 |
6 |
-1 |
81 |
295.359 |
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)
|
-1.12 |
-0.02 |
-48.37 |
1 |
6 |
-1 |
90 |
225.224 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-1.12 |
2.64 |
-53.47 |
2 |
6 |
0 |
91 |
226.232 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.93 |
0.1 |
-61.17 |
1 |
6 |
-1 |
97 |
225.224 |
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)
|
-1.12 |
-0.12 |
-54.15 |
1 |
6 |
-1 |
90 |
225.224 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-1.12 |
2.64 |
-51.63 |
2 |
6 |
0 |
91 |
226.232 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
-0.93 |
0.1 |
-57.61 |
1 |
6 |
-1 |
97 |
225.224 |
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)
|
0.34 |
7.5 |
-51.28 |
1 |
6 |
0 |
82 |
282.34 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.34 |
4.88 |
-47.38 |
0 |
6 |
-1 |
81 |
281.332 |
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 |
7.53 |
-56.24 |
1 |
6 |
0 |
82 |
282.34 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.34 |
5.06 |
-49.83 |
0 |
6 |
-1 |
81 |
281.332 |
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)
|
0.00 |
6.67 |
-57.36 |
1 |
6 |
0 |
82 |
268.313 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.00 |
4.19 |
-49.83 |
0 |
6 |
-1 |
81 |
267.305 |
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)
|
-0.20 |
6.46 |
-56.68 |
1 |
6 |
0 |
82 |
268.313 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
-0.20 |
3.99 |
-49.79 |
0 |
6 |
-1 |
81 |
267.305 |
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)
|
-0.87 |
4.93 |
-52.51 |
1 |
6 |
0 |
82 |
240.259 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-0.87 |
2.27 |
-48 |
0 |
6 |
-1 |
81 |
239.251 |
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)
|
-0.87 |
4.93 |
-50.49 |
1 |
6 |
0 |
82 |
240.259 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-0.87 |
2.18 |
-54.15 |
0 |
6 |
-1 |
81 |
239.251 |
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)
|
-0.50 |
5.91 |
-57.44 |
1 |
6 |
0 |
82 |
254.286 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
-0.50 |
3.44 |
-49.95 |
0 |
6 |
-1 |
81 |
253.278 |
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)
|
-0.78 |
0.41 |
-46.24 |
1 |
6 |
-1 |
90 |
239.251 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
-0.78 |
3.16 |
-50.53 |
2 |
6 |
0 |
91 |
240.259 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
-0.60 |
0.63 |
-62.05 |
1 |
6 |
-1 |
97 |
239.251 |
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)
|
-0.78 |
0.35 |
-53.16 |
1 |
6 |
-1 |
90 |
239.251 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
-0.78 |
3.11 |
-50.48 |
2 |
6 |
0 |
91 |
240.259 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
-0.60 |
0.58 |
-56.42 |
1 |
6 |
-1 |
97 |
239.251 |
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)
|
0.67 |
8.05 |
-51.22 |
1 |
6 |
0 |
82 |
296.367 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.67 |
5.37 |
-47.34 |
0 |
6 |
-1 |
81 |
295.359 |
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)
|
0.67 |
8.13 |
-53.76 |
1 |
6 |
0 |
82 |
296.367 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.67 |
5.71 |
-49.6 |
0 |
6 |
-1 |
81 |
295.359 |
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 |
7.19 |
-52.16 |
1 |
6 |
0 |
82 |
282.34 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.34 |
4.51 |
-47.47 |
0 |
6 |
-1 |
81 |
281.332 |
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)
|
0.13 |
7.03 |
-51.43 |
1 |
6 |
0 |
82 |
282.34 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.13 |
4.59 |
-47.25 |
0 |
6 |
-1 |
81 |
281.332 |
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)
|
0.13 |
6.96 |
-48.28 |
1 |
6 |
0 |
82 |
282.34 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.13 |
4.2 |
-52.97 |
0 |
6 |
-1 |
81 |
281.332 |
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)
|
-0.54 |
5.45 |
-49.66 |
1 |
6 |
0 |
82 |
254.286 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
-0.54 |
2.71 |
-46.02 |
0 |
6 |
-1 |
81 |
253.278 |
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)
|
-0.54 |
5.4 |
-49.34 |
1 |
6 |
0 |
82 |
254.286 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
-0.54 |
2.65 |
-53.16 |
0 |
6 |
-1 |
81 |
253.278 |
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)
|
-0.16 |
6.46 |
-52.15 |
1 |
6 |
0 |
82 |
268.313 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
-0.16 |
4.04 |
-47.36 |
0 |
6 |
-1 |
81 |
267.305 |
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)
|
-0.16 |
6.39 |
-48.98 |
1 |
6 |
0 |
82 |
268.313 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
-0.16 |
3.64 |
-53.05 |
0 |
6 |
-1 |
81 |
267.305 |
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)
|
-0.22 |
1.15 |
-46.51 |
1 |
6 |
-1 |
90 |
253.278 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
-0.22 |
3.93 |
-50.45 |
2 |
6 |
0 |
91 |
254.286 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.04 |
1.39 |
-61.98 |
1 |
6 |
-1 |
97 |
253.278 |
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)
|
-0.22 |
1.12 |
-53.67 |
1 |
6 |
-1 |
90 |
253.278 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
-0.22 |
3.88 |
-50.54 |
2 |
6 |
0 |
91 |
254.286 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.04 |
1.34 |
-56.34 |
1 |
6 |
-1 |
97 |
253.278 |
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 |
7.97 |
-49.03 |
1 |
6 |
0 |
82 |
296.367 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
0.90 |
5.21 |
-46.08 |
0 |
6 |
-1 |
81 |
295.359 |
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)
|
0.90 |
7.91 |
-48.92 |
1 |
6 |
0 |
82 |
296.367 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
0.90 |
5.16 |
-53.5 |
0 |
6 |
-1 |
81 |
295.359 |
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)
|
0.69 |
7.78 |
-48.54 |
1 |
6 |
0 |
82 |
296.367 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.69 |
5.01 |
-46.09 |
0 |
6 |
-1 |
81 |
295.359 |
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)
|
0.69 |
7.73 |
-48.24 |
1 |
6 |
0 |
82 |
296.367 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.69 |
4.97 |
-53.48 |
0 |
6 |
-1 |
81 |
295.359 |
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)
|
0.02 |
6.22 |
-49.65 |
1 |
6 |
0 |
82 |
268.313 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.02 |
3.47 |
-46.36 |
0 |
6 |
-1 |
81 |
267.305 |
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)
|
0.02 |
6.17 |
-49.38 |
1 |
6 |
0 |
82 |
268.313 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.02 |
3.42 |
-53.62 |
0 |
6 |
-1 |
81 |
267.305 |
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)
|
0.40 |
7.21 |
-49.08 |
1 |
6 |
0 |
82 |
282.34 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.40 |
4.45 |
-46.27 |
0 |
6 |
-1 |
81 |
281.332 |
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)
|
0.40 |
7.15 |
-48.99 |
1 |
6 |
0 |
82 |
282.34 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
0.40 |
4.4 |
-53.61 |
0 |
6 |
-1 |
81 |
281.332 |
5 |
↓
|
|