|
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)
|
2.21 |
6.53 |
-42.38 |
3 |
3 |
1 |
45 |
214.292 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
2.21 |
5.45 |
-8.26 |
2 |
3 |
0 |
41 |
213.284 |
1 |
↓
|
Lo
Low (pH 4.5-6)
|
2.21 |
6.99 |
-102.02 |
4 |
3 |
2 |
47 |
215.3 |
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)
|
2.21 |
6.53 |
-42.34 |
3 |
3 |
1 |
45 |
214.292 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
2.21 |
5.2 |
-7.99 |
2 |
3 |
0 |
41 |
213.284 |
1 |
↓
|
Lo
Low (pH 4.5-6)
|
2.21 |
6.99 |
-102 |
4 |
3 |
2 |
47 |
215.3 |
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)
|
1.88 |
6.27 |
-42.43 |
3 |
4 |
1 |
49 |
243.334 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.88 |
4.95 |
-8.87 |
2 |
4 |
0 |
44 |
242.326 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.88 |
4.93 |
-7.4 |
2 |
4 |
0 |
44 |
242.326 |
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)
|
2.53 |
6.33 |
-30.92 |
3 |
3 |
1 |
42 |
252.7 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
2.53 |
5.87 |
-9.26 |
2 |
3 |
0 |
41 |
251.692 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
2.53 |
6.32 |
-35.78 |
3 |
3 |
1 |
45 |
252.7 |
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)
|
2.90 |
7.75 |
-42.97 |
3 |
5 |
1 |
62 |
285.371 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.90 |
7.28 |
-11.67 |
2 |
5 |
0 |
61 |
284.363 |
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)
|
2.90 |
7.74 |
-42.62 |
3 |
5 |
1 |
62 |
285.371 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.90 |
7.27 |
-11.72 |
2 |
5 |
0 |
61 |
284.363 |
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)
|
1.92 |
3.92 |
-46.23 |
4 |
4 |
1 |
66 |
230.291 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.92 |
3.12 |
-7.87 |
3 |
4 |
0 |
61 |
229.283 |
1 |
↓
|
Lo
Low (pH 4.5-6)
|
1.92 |
3.58 |
-30.35 |
4 |
4 |
1 |
62 |
230.291 |
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)
|
1.92 |
3.89 |
-42.1 |
4 |
4 |
1 |
66 |
230.291 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.92 |
2.74 |
-8.34 |
3 |
4 |
0 |
61 |
229.283 |
1 |
↓
|
Lo
Low (pH 4.5-6)
|
1.92 |
3.21 |
-35.54 |
4 |
4 |
1 |
62 |
230.291 |
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)
|
3.28 |
7.67 |
-44.47 |
3 |
4 |
1 |
55 |
272.372 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.28 |
6.58 |
-8.12 |
2 |
4 |
0 |
50 |
271.364 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.28 |
8.13 |
-105.3 |
4 |
4 |
2 |
56 |
273.38 |
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)
|
3.28 |
7.67 |
-44.5 |
3 |
4 |
1 |
55 |
272.372 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.28 |
6.32 |
-7.58 |
2 |
4 |
0 |
50 |
271.364 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.28 |
8.13 |
-105.29 |
4 |
4 |
2 |
56 |
273.38 |
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)
|
3.44 |
8.35 |
-42.65 |
3 |
4 |
1 |
55 |
286.399 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.44 |
7.55 |
-7.12 |
2 |
4 |
0 |
50 |
285.391 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.44 |
8.01 |
-30.15 |
3 |
4 |
1 |
51 |
286.399 |
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)
|
3.44 |
8.31 |
-42.32 |
3 |
4 |
1 |
55 |
286.399 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.44 |
6.97 |
-6.86 |
2 |
4 |
0 |
50 |
285.391 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.44 |
8.81 |
-99.11 |
4 |
4 |
2 |
56 |
287.407 |
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)
|
0.52 |
3.41 |
-48.2 |
5 |
6 |
1 |
98 |
273.316 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.52 |
2.57 |
-16.36 |
4 |
6 |
0 |
93 |
272.308 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
0.52 |
3.98 |
-99.58 |
6 |
6 |
2 |
99 |
274.324 |
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)
|
0.52 |
3.36 |
-47.93 |
5 |
6 |
1 |
98 |
273.316 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.52 |
2.02 |
-16.36 |
4 |
6 |
0 |
93 |
272.308 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
0.52 |
3.85 |
-99.67 |
6 |
6 |
2 |
99 |
274.324 |
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)
|
1.84 |
4.25 |
-45.71 |
4 |
5 |
1 |
75 |
288.371 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
1.84 |
3.16 |
-8.59 |
3 |
5 |
0 |
70 |
287.363 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.84 |
3.63 |
-33.25 |
4 |
5 |
1 |
71 |
288.371 |
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)
|
1.84 |
4.25 |
-45.59 |
4 |
5 |
1 |
75 |
288.371 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
1.84 |
2.9 |
-8.33 |
3 |
5 |
0 |
70 |
287.363 |
4 |
↓
|
Lo
Low (pH 4.5-6)
|
1.84 |
4.7 |
-104.3 |
5 |
5 |
2 |
76 |
289.379 |
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)
|
1.29 |
2.45 |
-43.62 |
4 |
5 |
1 |
75 |
246.29 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.29 |
1.65 |
-9.27 |
3 |
5 |
0 |
70 |
245.282 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
1.29 |
3.06 |
-100.67 |
5 |
5 |
2 |
76 |
247.298 |
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)
|
1.29 |
2.41 |
-44.59 |
4 |
5 |
1 |
75 |
246.29 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.29 |
1.07 |
-9.07 |
3 |
5 |
0 |
70 |
245.282 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
1.29 |
2.91 |
-100.42 |
5 |
5 |
2 |
76 |
247.298 |
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)
|
1.54 |
5.63 |
-39.23 |
3 |
4 |
1 |
66 |
225.275 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.54 |
5.17 |
-9.32 |
2 |
4 |
0 |
65 |
224.267 |
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)
|
1.54 |
5.37 |
-40.08 |
3 |
4 |
1 |
66 |
225.275 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.54 |
4.91 |
-9.21 |
2 |
4 |
0 |
65 |
224.267 |
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)
|
2.95 |
7.18 |
-38.01 |
3 |
5 |
1 |
64 |
302.398 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.95 |
5.86 |
-7.98 |
2 |
5 |
0 |
59 |
301.39 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.95 |
7.61 |
-102.88 |
4 |
5 |
2 |
65 |
303.406 |
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)
|
2.95 |
7.2 |
-48.22 |
3 |
5 |
1 |
64 |
302.398 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.95 |
5.85 |
-7.23 |
2 |
5 |
0 |
59 |
301.39 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.95 |
7.68 |
-104.45 |
4 |
5 |
2 |
65 |
303.406 |
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)
|
2.77 |
7.47 |
-37.71 |
3 |
5 |
1 |
63 |
334.465 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.77 |
6.05 |
-10.66 |
2 |
5 |
0 |
61 |
333.457 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
2.77 |
6.52 |
-34.89 |
3 |
5 |
1 |
63 |
334.465 |
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)
|
2.77 |
7.47 |
-33.24 |
3 |
5 |
1 |
63 |
334.465 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
2.77 |
6.26 |
-11.79 |
2 |
5 |
0 |
61 |
333.457 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
2.77 |
6.73 |
-31.47 |
3 |
5 |
1 |
63 |
334.465 |
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)
|
3.65 |
11.79 |
-38.58 |
2 |
3 |
1 |
33 |
316.494 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.65 |
10.01 |
-8.67 |
1 |
3 |
0 |
32 |
315.486 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.65 |
10.48 |
-33.44 |
2 |
3 |
1 |
33 |
316.494 |
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)
|
3.65 |
11.79 |
-38.64 |
2 |
3 |
1 |
33 |
316.494 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.65 |
10.01 |
-8.69 |
1 |
3 |
0 |
32 |
315.486 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
3.65 |
10.48 |
-33.43 |
2 |
3 |
1 |
33 |
316.494 |
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)
|
0.65 |
2.8 |
-41.12 |
3 |
5 |
1 |
76 |
278.357 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.65 |
2.33 |
-16.57 |
2 |
5 |
0 |
75 |
277.349 |
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)
|
0.65 |
2.55 |
-45.28 |
3 |
5 |
1 |
76 |
278.357 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.65 |
2.08 |
-15.2 |
2 |
5 |
0 |
75 |
277.349 |
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)
|
2.54 |
5.27 |
-37.03 |
3 |
4 |
1 |
51 |
282.726 |
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)
|
2.54 |
5.02 |
-38.47 |
3 |
4 |
1 |
51 |
282.726 |
2 |
↓
|
|