|
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)
|
0.19 |
0.97 |
-38.48 |
3 |
3 |
1 |
40 |
185.291 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
0.19 |
2.94 |
-113.48 |
4 |
3 |
2 |
41 |
186.299 |
1 |
↓
|
Lo
Low (pH 4.5-6)
|
0.19 |
2.57 |
-31.02 |
3 |
3 |
1 |
40 |
185.291 |
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)
|
0.19 |
0.12 |
-43.36 |
3 |
3 |
1 |
40 |
185.291 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
0.19 |
2.53 |
-113.18 |
4 |
3 |
2 |
41 |
186.299 |
1 |
↓
|
Lo
Low (pH 4.5-6)
|
0.19 |
2.24 |
-32.76 |
3 |
3 |
1 |
40 |
185.291 |
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)
|
0.48 |
0.9 |
-39.61 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.48 |
3.24 |
-26.27 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.48 |
3.19 |
-105.77 |
4 |
3 |
2 |
41 |
200.326 |
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)
|
0.48 |
0.52 |
-39.97 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.48 |
2.74 |
-27.54 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.48 |
2.36 |
-113.88 |
4 |
3 |
2 |
41 |
200.326 |
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)
|
0.48 |
0.42 |
-45.37 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.48 |
2.91 |
-111.24 |
4 |
3 |
2 |
41 |
200.326 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.48 |
2.94 |
-27.88 |
3 |
3 |
1 |
40 |
199.318 |
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)
|
0.48 |
1.58 |
-43.8 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.48 |
2.94 |
-27.01 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.48 |
3.2 |
-117.6 |
4 |
3 |
2 |
41 |
200.326 |
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)
|
0.39 |
0.98 |
-48.52 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.39 |
2.31 |
-30.24 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.39 |
2.64 |
-115.47 |
4 |
3 |
2 |
41 |
200.326 |
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)
|
0.39 |
1.27 |
-44.71 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.39 |
2.5 |
-27.66 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.39 |
2.97 |
-119.88 |
4 |
3 |
2 |
41 |
200.326 |
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)
|
0.35 |
0.73 |
-44.82 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.35 |
2.81 |
-101.77 |
4 |
3 |
2 |
41 |
200.326 |
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)
|
0.35 |
0.76 |
-43.69 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.35 |
2.81 |
-100.54 |
4 |
3 |
2 |
41 |
200.326 |
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)
|
0.35 |
0.79 |
-43.35 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.35 |
2.8 |
-100.26 |
4 |
3 |
2 |
41 |
200.326 |
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)
|
0.35 |
0.72 |
-45.85 |
3 |
3 |
1 |
40 |
199.318 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.35 |
2.81 |
-102.94 |
4 |
3 |
2 |
41 |
200.326 |
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)
|
0.48 |
3.29 |
-94.99 |
4 |
3 |
2 |
41 |
200.326 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
0.48 |
1.11 |
-44.34 |
3 |
3 |
1 |
40 |
199.318 |
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)
|
0.48 |
3.35 |
-94.59 |
4 |
3 |
2 |
41 |
200.326 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
0.48 |
1.19 |
-44.22 |
3 |
3 |
1 |
40 |
199.318 |
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)
|
0.88 |
2.05 |
-44.5 |
3 |
3 |
1 |
40 |
213.345 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
0.88 |
1.16 |
-1.46 |
2 |
3 |
0 |
38 |
212.337 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.88 |
3.46 |
-119.45 |
4 |
3 |
2 |
41 |
214.353 |
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)
|
0.88 |
1.99 |
-46.89 |
3 |
3 |
1 |
40 |
213.345 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
0.88 |
1.26 |
-1.97 |
2 |
3 |
0 |
38 |
212.337 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.88 |
3.57 |
-119.2 |
4 |
3 |
2 |
41 |
214.353 |
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)
|
1.44 |
5.21 |
-38.46 |
1 |
2 |
1 |
14 |
190.694 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
1.44 |
3.03 |
-2.58 |
0 |
2 |
0 |
12 |
189.686 |
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)
|
1.44 |
5.27 |
-38.66 |
1 |
2 |
1 |
14 |
190.694 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
1.44 |
3.1 |
-2.9 |
0 |
2 |
0 |
12 |
189.686 |
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)
|
1.95 |
5.35 |
-34.22 |
1 |
2 |
1 |
14 |
204.721 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.95 |
3.71 |
-2.87 |
0 |
2 |
0 |
12 |
203.713 |
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)
|
1.95 |
5.44 |
-30.39 |
1 |
2 |
1 |
14 |
204.721 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
1.95 |
3.67 |
-2.69 |
0 |
2 |
0 |
12 |
203.713 |
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)
|
1.44 |
3.01 |
-2.76 |
0 |
2 |
0 |
12 |
189.686 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
1.44 |
5.2 |
-36.05 |
1 |
2 |
1 |
14 |
190.694 |
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)
|
1.44 |
2.78 |
-2.3 |
0 |
2 |
0 |
12 |
189.686 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
1.44 |
5.19 |
-35.83 |
1 |
2 |
1 |
14 |
190.694 |
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)
|
1.82 |
5.82 |
-37.26 |
1 |
2 |
1 |
14 |
204.721 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.82 |
3.64 |
-3.26 |
0 |
2 |
0 |
12 |
203.713 |
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)
|
1.82 |
5.79 |
-37.34 |
1 |
2 |
1 |
14 |
204.721 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.82 |
3.38 |
-2.96 |
0 |
2 |
0 |
12 |
203.713 |
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)
|
2.22 |
6.07 |
-34.27 |
1 |
2 |
1 |
14 |
218.748 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.22 |
4.48 |
-2.14 |
0 |
2 |
0 |
12 |
217.74 |
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)
|
2.22 |
6.06 |
-34.2 |
1 |
2 |
1 |
14 |
218.748 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.22 |
3.99 |
-2.75 |
0 |
2 |
0 |
12 |
217.74 |
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)
|
1.82 |
5.81 |
-36.82 |
1 |
2 |
1 |
14 |
204.721 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.82 |
3.63 |
-2.68 |
0 |
2 |
0 |
12 |
203.713 |
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)
|
1.82 |
5.87 |
-37.09 |
1 |
2 |
1 |
14 |
204.721 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.82 |
3.71 |
-3.01 |
0 |
2 |
0 |
12 |
203.713 |
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)
|
2.10 |
6.54 |
-36.55 |
1 |
2 |
1 |
14 |
218.748 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.10 |
4.35 |
-3.17 |
0 |
2 |
0 |
12 |
217.74 |
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)
|
2.10 |
6.53 |
-36.6 |
1 |
2 |
1 |
14 |
218.748 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.10 |
4.11 |
-2.94 |
0 |
2 |
0 |
12 |
217.74 |
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)
|
1.40 |
2.64 |
-42.55 |
2 |
3 |
1 |
29 |
213.345 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.40 |
4.67 |
-102.4 |
3 |
3 |
2 |
30 |
214.353 |
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)
|
1.40 |
2.58 |
-41.67 |
2 |
3 |
1 |
29 |
213.345 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.40 |
4.67 |
-101.13 |
3 |
3 |
2 |
30 |
214.353 |
4 |
↓
|
|