|
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)
|
1.32 |
3.69 |
-44.96 |
2 |
3 |
1 |
43 |
195.267 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.32 |
2.32 |
-7.05 |
1 |
3 |
0 |
38 |
194.259 |
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)
|
1.88 |
4.19 |
-41.68 |
2 |
3 |
1 |
43 |
209.294 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.88 |
2.96 |
-6.48 |
1 |
3 |
0 |
38 |
208.286 |
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)
|
1.88 |
4.19 |
-41.74 |
2 |
3 |
1 |
43 |
209.294 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.88 |
2.99 |
-6.98 |
1 |
3 |
0 |
38 |
208.286 |
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)
|
2.10 |
5.02 |
-41.64 |
2 |
3 |
1 |
43 |
223.321 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.10 |
3.81 |
-7.26 |
1 |
3 |
0 |
38 |
222.313 |
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)
|
2.10 |
5.02 |
-41.51 |
2 |
3 |
1 |
43 |
223.321 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.10 |
3.79 |
-6.76 |
1 |
3 |
0 |
38 |
222.313 |
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)
|
1.54 |
4.51 |
-44.99 |
2 |
3 |
1 |
43 |
209.294 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.54 |
3.14 |
-7.35 |
1 |
3 |
0 |
38 |
208.286 |
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)
|
2.98 |
7.09 |
-44.46 |
2 |
3 |
1 |
43 |
265.402 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
2.98 |
5.72 |
-7.22 |
1 |
3 |
0 |
38 |
264.394 |
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)
|
2.55 |
7.47 |
-44.58 |
2 |
3 |
1 |
43 |
297.469 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.55 |
6.27 |
-8.36 |
1 |
3 |
0 |
38 |
296.461 |
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)
|
2.55 |
7.48 |
-44.29 |
2 |
3 |
1 |
43 |
297.469 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
2.55 |
6.26 |
-7.94 |
1 |
3 |
0 |
38 |
296.461 |
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)
|
3.11 |
7.85 |
-45.91 |
2 |
3 |
1 |
43 |
333.449 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
3.11 |
6.65 |
-8.55 |
1 |
3 |
0 |
38 |
332.441 |
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)
|
3.11 |
7.86 |
-45.7 |
2 |
3 |
1 |
43 |
333.449 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
3.11 |
6.65 |
-8.12 |
1 |
3 |
0 |
38 |
332.441 |
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)
|
1.80 |
5.68 |
-9.95 |
1 |
5 |
0 |
64 |
308.403 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
1.80 |
6.88 |
-50.18 |
2 |
5 |
1 |
69 |
309.411 |
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)
|
1.80 |
5.67 |
-9.23 |
1 |
5 |
0 |
64 |
308.403 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
1.80 |
6.89 |
-49.86 |
2 |
5 |
1 |
69 |
309.411 |
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)
|
2.62 |
4.83 |
-6.78 |
1 |
3 |
0 |
38 |
270.785 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.62 |
6.04 |
-45.67 |
2 |
3 |
1 |
43 |
271.793 |
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)
|
2.62 |
4.83 |
-6.47 |
1 |
3 |
0 |
38 |
270.785 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.62 |
6.05 |
-45.38 |
2 |
3 |
1 |
43 |
271.793 |
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)
|
1.82 |
5.42 |
-42.15 |
2 |
3 |
1 |
43 |
237.348 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.82 |
4.21 |
-7.22 |
1 |
3 |
0 |
38 |
236.34 |
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)
|
1.82 |
5.43 |
-41.91 |
2 |
3 |
1 |
43 |
237.348 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
1.82 |
4.21 |
-6.67 |
1 |
3 |
0 |
38 |
236.34 |
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)
|
2.04 |
6.24 |
-42 |
2 |
3 |
1 |
43 |
251.375 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.04 |
5.04 |
-8.13 |
1 |
3 |
0 |
38 |
250.367 |
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)
|
2.04 |
6.25 |
-41.91 |
2 |
3 |
1 |
43 |
251.375 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.04 |
5.03 |
-7.09 |
1 |
3 |
0 |
38 |
250.367 |
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)
|
2.30 |
7.32 |
-42.74 |
2 |
4 |
1 |
46 |
266.39 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
2.30 |
5.95 |
-7.57 |
1 |
4 |
0 |
41 |
265.382 |
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 |
3.47 |
-6.84 |
1 |
3 |
0 |
38 |
222.313 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.10 |
4.68 |
-42.34 |
2 |
3 |
1 |
43 |
223.321 |
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)
|
2.10 |
3.47 |
-6.29 |
1 |
3 |
0 |
38 |
222.313 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.10 |
4.69 |
-42.09 |
2 |
3 |
1 |
43 |
223.321 |
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)
|
3.54 |
7.27 |
-41.66 |
2 |
3 |
1 |
43 |
279.429 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.54 |
6.07 |
-6.82 |
1 |
3 |
0 |
38 |
278.421 |
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)
|
3.54 |
7.28 |
-41.44 |
2 |
3 |
1 |
43 |
279.429 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.54 |
6.06 |
-6.27 |
1 |
3 |
0 |
38 |
278.421 |
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)
|
3.08 |
8.65 |
-39.4 |
2 |
4 |
1 |
46 |
294.444 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
3.08 |
7.44 |
-8.21 |
1 |
4 |
0 |
41 |
293.436 |
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)
|
3.08 |
8.65 |
-39.54 |
2 |
4 |
1 |
46 |
294.444 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
3.08 |
7.42 |
-7.75 |
1 |
4 |
0 |
41 |
293.436 |
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)
|
2.88 |
6.09 |
-37.71 |
2 |
3 |
1 |
43 |
251.375 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.88 |
5.01 |
-7.92 |
1 |
3 |
0 |
38 |
250.367 |
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)
|
2.88 |
6 |
-38.43 |
2 |
3 |
1 |
43 |
251.375 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.88 |
4.95 |
-6.99 |
1 |
3 |
0 |
38 |
250.367 |
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)
|
2.88 |
6.02 |
-38.34 |
2 |
3 |
1 |
43 |
251.375 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.88 |
4.97 |
-6.74 |
1 |
3 |
0 |
38 |
250.367 |
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)
|
2.88 |
6.06 |
-36.81 |
2 |
3 |
1 |
43 |
251.375 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.88 |
5.04 |
-5.95 |
1 |
3 |
0 |
38 |
250.367 |
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)
|
4.32 |
8.68 |
-37 |
2 |
3 |
1 |
43 |
307.483 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
4.32 |
7.6 |
-7.87 |
1 |
3 |
0 |
38 |
306.475 |
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)
|
4.32 |
8.6 |
-37.67 |
2 |
3 |
1 |
43 |
307.483 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
4.32 |
7.54 |
-7.06 |
1 |
3 |
0 |
38 |
306.475 |
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)
|
4.32 |
8.62 |
-37.54 |
2 |
3 |
1 |
43 |
307.483 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
4.32 |
7.56 |
-6.69 |
1 |
3 |
0 |
38 |
306.475 |
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)
|
4.32 |
8.66 |
-35.97 |
2 |
3 |
1 |
43 |
307.483 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
4.32 |
7.63 |
-5.99 |
1 |
3 |
0 |
38 |
306.475 |
5 |
↓
|
|