|
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)
|
2.46 |
4.53 |
-56.52 |
5 |
5 |
1 |
88 |
311.818 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.46 |
3.36 |
-10.26 |
4 |
5 |
0 |
84 |
310.81 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.92 |
2.58 |
-74.16 |
4 |
5 |
0 |
91 |
310.81 |
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)
|
2.46 |
4.54 |
-56.28 |
5 |
5 |
1 |
88 |
311.818 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.46 |
3.36 |
-10.75 |
4 |
5 |
0 |
84 |
310.81 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.92 |
2.58 |
-69.38 |
4 |
5 |
0 |
91 |
310.81 |
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)
|
2.84 |
5.38 |
-55.22 |
5 |
5 |
1 |
88 |
325.845 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.84 |
4.29 |
-10.53 |
4 |
5 |
0 |
84 |
324.837 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.29 |
3.43 |
-72.01 |
4 |
5 |
0 |
91 |
324.837 |
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)
|
2.84 |
5.38 |
-55.02 |
5 |
5 |
1 |
88 |
325.845 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.84 |
4.27 |
-10.06 |
4 |
5 |
0 |
84 |
324.837 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.29 |
3.42 |
-67.76 |
4 |
5 |
0 |
91 |
324.837 |
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)
|
0.21 |
2.77 |
-62.29 |
6 |
5 |
1 |
99 |
297.791 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.66 |
0.81 |
-80.3 |
5 |
5 |
0 |
103 |
296.783 |
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)
|
0.21 |
2.76 |
-62.06 |
6 |
5 |
1 |
99 |
297.791 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.66 |
0.8 |
-74.95 |
5 |
5 |
0 |
103 |
296.783 |
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)
|
2.59 |
4.62 |
-56.58 |
5 |
5 |
1 |
88 |
356.269 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.59 |
3.45 |
-10.11 |
4 |
5 |
0 |
84 |
355.261 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.05 |
2.66 |
-69.14 |
4 |
5 |
0 |
91 |
355.261 |
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)
|
2.59 |
4.62 |
-56.3 |
5 |
5 |
1 |
88 |
356.269 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.59 |
3.45 |
-10.71 |
4 |
5 |
0 |
84 |
355.261 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.05 |
2.67 |
-73.83 |
4 |
5 |
0 |
91 |
355.261 |
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)
|
2.97 |
5.47 |
-55.29 |
5 |
5 |
1 |
88 |
370.296 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.97 |
4.37 |
-10.43 |
4 |
5 |
0 |
84 |
369.288 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.42 |
3.52 |
-67.49 |
4 |
5 |
0 |
91 |
369.288 |
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)
|
2.97 |
5.45 |
-55.08 |
5 |
5 |
1 |
88 |
370.296 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.97 |
4.36 |
-9.99 |
4 |
5 |
0 |
84 |
369.288 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.42 |
3.51 |
-71.75 |
4 |
5 |
0 |
91 |
369.288 |
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 |
2.86 |
-62.43 |
6 |
5 |
1 |
99 |
342.242 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.80 |
0.9 |
-74.75 |
5 |
5 |
0 |
103 |
341.234 |
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)
|
0.34 |
2.85 |
-62.12 |
6 |
5 |
1 |
99 |
342.242 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.80 |
0.89 |
-79.97 |
5 |
5 |
0 |
103 |
341.234 |
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)
|
1.60 |
2.21 |
-10.8 |
5 |
5 |
0 |
98 |
248.311 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.05 |
0.25 |
-50.24 |
4 |
5 |
-1 |
101 |
247.303 |
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)
|
1.11 |
2.21 |
-13.75 |
5 |
8 |
0 |
144 |
279.281 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
1.56 |
0.25 |
-45.68 |
4 |
8 |
-1 |
147 |
278.273 |
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 |
4.35 |
-14.12 |
3 |
5 |
0 |
96 |
278.724 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.55 |
2.4 |
-48.9 |
2 |
5 |
-1 |
99 |
277.716 |
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)
|
2.07 |
4.26 |
-16.63 |
3 |
5 |
0 |
96 |
278.724 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.53 |
2.31 |
-52.62 |
2 |
5 |
-1 |
99 |
277.716 |
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)
|
1.36 |
5.28 |
-40.01 |
4 |
4 |
1 |
73 |
308.402 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
1.82 |
4.15 |
-45.58 |
2 |
4 |
-1 |
75 |
306.386 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.82 |
4.47 |
-35.09 |
3 |
4 |
0 |
76 |
307.394 |
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)
|
1.36 |
5.27 |
-40.09 |
4 |
4 |
1 |
73 |
308.402 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
1.82 |
4.2 |
-40.94 |
2 |
4 |
-1 |
75 |
306.386 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.82 |
4.46 |
-35.39 |
3 |
4 |
0 |
76 |
307.394 |
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)
|
3.29 |
5.53 |
-8.29 |
3 |
4 |
0 |
72 |
275.377 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
3.74 |
3.63 |
-48.01 |
2 |
4 |
-1 |
75 |
274.369 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.29 |
4.93 |
-18.47 |
3 |
4 |
0 |
72 |
275.377 |
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)
|
1.91 |
4.25 |
-45.34 |
3 |
6 |
-1 |
112 |
296.715 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.37 |
2.28 |
-118.74 |
2 |
6 |
-2 |
115 |
295.707 |
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 |
4.36 |
-13.94 |
3 |
5 |
0 |
96 |
278.724 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.55 |
2.38 |
-48.97 |
2 |
5 |
-1 |
99 |
277.716 |
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 |
4.4 |
-13.87 |
3 |
5 |
0 |
96 |
278.724 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.55 |
2.42 |
-46.48 |
2 |
5 |
-1 |
99 |
277.716 |
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)
|
2.25 |
4.56 |
-46.78 |
3 |
6 |
-1 |
112 |
296.715 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.71 |
2.59 |
-104.48 |
2 |
6 |
-2 |
115 |
295.707 |
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)
|
1.83 |
4.21 |
-41.7 |
3 |
6 |
-1 |
112 |
298.25 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.29 |
2.24 |
-100.45 |
2 |
6 |
-2 |
115 |
297.242 |
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)
|
0.31 |
1.62 |
-52.65 |
5 |
7 |
-1 |
138 |
277.285 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
0.77 |
-0.35 |
-128.48 |
4 |
7 |
-2 |
141 |
276.277 |
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)
|
2.93 |
6.59 |
-14.1 |
1 |
4 |
0 |
70 |
311.288 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
3.39 |
4.61 |
-44.95 |
0 |
4 |
-1 |
73 |
310.28 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
2.93 |
5.98 |
-24.03 |
1 |
4 |
0 |
70 |
311.288 |
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)
|
1.17 |
1.5 |
-10.52 |
5 |
5 |
0 |
98 |
234.284 |
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)
|
1.50 |
2.3 |
-13.04 |
5 |
7 |
0 |
124 |
292.32 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
1.96 |
0.34 |
-49.36 |
4 |
7 |
-1 |
127 |
291.312 |
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)
|
0.46 |
-1.69 |
-16.18 |
5 |
7 |
0 |
132 |
312.376 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
0.91 |
-3.65 |
-53.82 |
4 |
7 |
-1 |
135 |
311.368 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.46 |
-2.29 |
-28.67 |
5 |
7 |
0 |
132 |
312.376 |
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)
|
0.02 |
-2.3 |
-15.98 |
5 |
7 |
0 |
132 |
298.349 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
0.47 |
-4.27 |
-46.95 |
4 |
7 |
-1 |
135 |
297.341 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
0.02 |
-2.87 |
-30.07 |
5 |
7 |
0 |
132 |
298.349 |
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)
|
2.49 |
6.09 |
-12.76 |
1 |
4 |
0 |
70 |
297.261 |
3 |
↓
|
Hi
High (pH 8-9.5)
|
2.95 |
4.11 |
-45.75 |
0 |
4 |
-1 |
73 |
296.253 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
2.49 |
5.52 |
-22.6 |
1 |
4 |
0 |
70 |
297.261 |
3 |
↓
|
|