|
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)
|
3.52 |
4.59 |
-5.84 |
0 |
3 |
0 |
29 |
306.193 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.52 |
6.91 |
-31.14 |
1 |
3 |
1 |
30 |
307.201 |
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)
|
3.39 |
6.53 |
-41.49 |
1 |
4 |
1 |
39 |
320.772 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
3.39 |
4.2 |
-7.39 |
0 |
4 |
0 |
38 |
319.764 |
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)
|
4.48 |
9.27 |
-36.54 |
1 |
3 |
1 |
30 |
310.874 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
4.48 |
6.94 |
-3.93 |
0 |
3 |
0 |
29 |
309.866 |
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)
|
1.66 |
3.81 |
-11.07 |
1 |
6 |
0 |
84 |
250.283 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.66 |
5.18 |
-59.69 |
2 |
6 |
1 |
88 |
251.291 |
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)
|
3.03 |
6.28 |
-42.44 |
2 |
3 |
1 |
42 |
248.375 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.03 |
5.25 |
-5.89 |
1 |
3 |
0 |
38 |
247.367 |
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)
|
3.03 |
6.28 |
-39.85 |
2 |
3 |
1 |
42 |
248.375 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.03 |
5.06 |
-5.97 |
1 |
3 |
0 |
38 |
247.367 |
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)
|
3.20 |
6.19 |
-48.67 |
2 |
3 |
1 |
42 |
266.365 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.20 |
5.32 |
-6.73 |
1 |
3 |
0 |
38 |
265.357 |
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)
|
3.20 |
6.34 |
-45.14 |
2 |
3 |
1 |
42 |
266.365 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.20 |
5.12 |
-7.04 |
1 |
3 |
0 |
38 |
265.357 |
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)
|
1.94 |
5.13 |
-45.54 |
2 |
4 |
1 |
52 |
264.374 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.94 |
3.89 |
-7.72 |
1 |
4 |
0 |
47 |
263.366 |
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)
|
1.94 |
5.12 |
-42.44 |
2 |
4 |
1 |
52 |
264.374 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
1.94 |
3.91 |
-7.85 |
1 |
4 |
0 |
47 |
263.366 |
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)
|
2.33 |
3.83 |
-42.12 |
2 |
5 |
1 |
61 |
280.373 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.33 |
2.68 |
-8.97 |
1 |
5 |
0 |
56 |
279.365 |
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)
|
2.33 |
3.78 |
-41.58 |
2 |
5 |
1 |
61 |
280.373 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.33 |
2.79 |
-8.45 |
1 |
5 |
0 |
56 |
279.365 |
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)
|
3.16 |
6.11 |
-50.11 |
2 |
3 |
1 |
42 |
288.318 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.16 |
4.99 |
-7.08 |
1 |
3 |
0 |
38 |
287.31 |
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)
|
3.16 |
6.09 |
-48.94 |
2 |
3 |
1 |
42 |
288.318 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.16 |
5 |
-6.68 |
1 |
3 |
0 |
38 |
287.31 |
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)
|
2.43 |
4.46 |
-52.73 |
2 |
4 |
1 |
52 |
268.337 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.43 |
3.35 |
-9.55 |
1 |
4 |
0 |
47 |
267.329 |
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)
|
2.43 |
4.46 |
-51.53 |
2 |
4 |
1 |
52 |
268.337 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.43 |
3.34 |
-9.17 |
1 |
4 |
0 |
47 |
267.329 |
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)
|
2.85 |
4.83 |
-47.28 |
2 |
4 |
1 |
52 |
286.327 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.85 |
3.67 |
-9.24 |
1 |
4 |
0 |
47 |
285.319 |
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)
|
2.85 |
4.79 |
-46.18 |
2 |
4 |
1 |
52 |
286.327 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.85 |
3.79 |
-8.68 |
1 |
4 |
0 |
47 |
285.319 |
6 |
↓
|
|
|
Analogs
-
48698298
-
-
48698300
-
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)
|
3.18 |
6.1 |
-51.1 |
2 |
3 |
1 |
42 |
288.318 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.18 |
4.97 |
-7.26 |
1 |
3 |
0 |
38 |
287.31 |
5 |
↓
|
|
|
Analogs
-
48698298
-
-
48698300
-
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)
|
3.18 |
6.07 |
-50.91 |
2 |
3 |
1 |
42 |
288.318 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.18 |
4.98 |
-7.33 |
1 |
3 |
0 |
38 |
287.31 |
5 |
↓
|
|
|
Analogs
-
48794429
-
-
48794431
-
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)
|
2.43 |
4.61 |
-43.99 |
2 |
4 |
1 |
52 |
268.337 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.43 |
3.46 |
-8.11 |
1 |
4 |
0 |
47 |
267.329 |
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)
|
2.43 |
4.57 |
-43.58 |
2 |
4 |
1 |
52 |
268.337 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.43 |
3.57 |
-7.62 |
1 |
4 |
0 |
47 |
267.329 |
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)
|
3.11 |
6.33 |
-43.78 |
2 |
3 |
1 |
42 |
248.375 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
3.11 |
5.33 |
-6.4 |
1 |
3 |
0 |
38 |
247.367 |
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)
|
3.11 |
6.29 |
-44.19 |
2 |
3 |
1 |
42 |
248.375 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
3.11 |
5.13 |
-6.71 |
1 |
3 |
0 |
38 |
247.367 |
4 |
↓
|
|
|
Analogs
-
48674847
-
-
48674848
-
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 |
5.06 |
-50.63 |
2 |
4 |
1 |
52 |
329.243 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.08 |
3.95 |
-8.29 |
1 |
4 |
0 |
47 |
328.235 |
5 |
↓
|
|
|
Analogs
-
48674847
-
-
48674848
-
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 |
5.06 |
-49.54 |
2 |
4 |
1 |
52 |
329.243 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.08 |
3.94 |
-7.92 |
1 |
4 |
0 |
47 |
328.235 |
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)
|
4.04 |
7.42 |
-39.88 |
2 |
3 |
1 |
42 |
276.429 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
4.04 |
7.49 |
-5.51 |
1 |
3 |
0 |
38 |
275.421 |
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)
|
4.04 |
7.3 |
-41.13 |
2 |
3 |
1 |
42 |
276.429 |
7 |
↓
|
Hi
High (pH 8-9.5)
|
4.04 |
6.58 |
-5.27 |
1 |
3 |
0 |
38 |
275.421 |
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)
|
2.72 |
5.32 |
-46.55 |
2 |
4 |
1 |
52 |
264.374 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.72 |
4.19 |
-7.7 |
1 |
4 |
0 |
47 |
263.366 |
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)
|
1.28 |
1.99 |
-44.46 |
3 |
4 |
1 |
63 |
236.32 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.28 |
0.9 |
-8.41 |
2 |
4 |
0 |
58 |
235.312 |
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)
|
1.28 |
1.99 |
-43.23 |
3 |
4 |
1 |
63 |
236.32 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
1.28 |
0.8 |
-8.39 |
2 |
4 |
0 |
58 |
235.312 |
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)
|
3.88 |
5.53 |
-5.59 |
0 |
3 |
0 |
29 |
321.755 |
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)
|
3.88 |
5.6 |
-5.98 |
0 |
3 |
0 |
29 |
321.755 |
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)
|
2.13 |
5.08 |
-45.78 |
2 |
3 |
1 |
42 |
220.321 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
2.13 |
3.71 |
-6.71 |
1 |
3 |
0 |
38 |
219.313 |
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)
|
2.68 |
7.51 |
-75.38 |
1 |
5 |
0 |
70 |
297.767 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.68 |
5.19 |
-51.52 |
0 |
5 |
-1 |
69 |
296.759 |
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)
|
1.98 |
4.58 |
-56.96 |
2 |
3 |
1 |
42 |
242.274 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
1.98 |
3.22 |
-9.07 |
1 |
3 |
0 |
38 |
241.266 |
4 |
↓
|
|