|
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 |
7.04 |
-112.23 |
4 |
2 |
2 |
32 |
238.419 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.30 |
6.66 |
-31.29 |
3 |
2 |
1 |
30 |
237.411 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.30 |
5.72 |
-41.51 |
3 |
2 |
1 |
31 |
237.411 |
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)
|
2.30 |
7.16 |
-109 |
4 |
2 |
2 |
32 |
238.419 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.30 |
4.69 |
-42.35 |
3 |
2 |
1 |
31 |
237.411 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.30 |
6.79 |
-31.2 |
3 |
2 |
1 |
30 |
237.411 |
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)
|
2.30 |
7.29 |
-109.02 |
4 |
2 |
2 |
32 |
238.419 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.30 |
6.92 |
-32.81 |
3 |
2 |
1 |
30 |
237.411 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.30 |
4.89 |
-42.76 |
3 |
2 |
1 |
31 |
237.411 |
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)
|
2.30 |
7.05 |
-112.2 |
4 |
2 |
2 |
32 |
238.419 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.30 |
5.74 |
-41.61 |
3 |
2 |
1 |
31 |
237.411 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.30 |
6.66 |
-31.75 |
3 |
2 |
1 |
30 |
237.411 |
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)
|
2.50 |
7.1 |
-120.36 |
4 |
2 |
2 |
32 |
238.419 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.50 |
6.7 |
-29.1 |
3 |
2 |
1 |
30 |
237.411 |
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)
|
1.99 |
7.07 |
-119.47 |
4 |
2 |
2 |
32 |
224.392 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.99 |
5.43 |
-37.19 |
3 |
2 |
1 |
31 |
223.384 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
1.99 |
6.97 |
-29.25 |
3 |
2 |
1 |
30 |
223.384 |
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)
|
1.99 |
6.48 |
-116.98 |
4 |
2 |
2 |
32 |
224.392 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.99 |
4.01 |
-40.83 |
3 |
2 |
1 |
31 |
223.384 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
1.99 |
6.36 |
-31.53 |
3 |
2 |
1 |
30 |
223.384 |
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)
|
1.99 |
6.56 |
-116.58 |
4 |
2 |
2 |
32 |
224.392 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.99 |
4.39 |
-42.26 |
3 |
2 |
1 |
31 |
223.384 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
1.99 |
6.26 |
-30.04 |
3 |
2 |
1 |
30 |
223.384 |
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)
|
1.99 |
7.08 |
-119.41 |
4 |
2 |
2 |
32 |
224.392 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.99 |
5.66 |
-37.61 |
3 |
2 |
1 |
31 |
223.384 |
1 |
↓
|
Mid
Mid (pH 6-8)
|
1.99 |
6.98 |
-28.95 |
3 |
2 |
1 |
30 |
223.384 |
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)
|
3.27 |
9.43 |
-30.2 |
2 |
2 |
1 |
16 |
251.438 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.27 |
9.85 |
-111.02 |
3 |
2 |
2 |
21 |
252.446 |
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)
|
3.27 |
8.07 |
-30.19 |
2 |
2 |
1 |
16 |
251.438 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.27 |
9.19 |
-110.36 |
3 |
2 |
2 |
21 |
252.446 |
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)
|
3.27 |
8.22 |
-32.61 |
2 |
2 |
1 |
16 |
251.438 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.27 |
9.27 |
-110.47 |
3 |
2 |
2 |
21 |
252.446 |
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)
|
3.27 |
9.85 |
-28.55 |
2 |
2 |
1 |
16 |
251.438 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.27 |
9.84 |
-110.98 |
3 |
2 |
2 |
21 |
252.446 |
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)
|
2.90 |
8.56 |
-30.09 |
2 |
2 |
1 |
16 |
237.411 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
2.90 |
9.01 |
-111.93 |
3 |
2 |
2 |
21 |
238.419 |
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 |
7.14 |
-29.94 |
2 |
2 |
1 |
16 |
237.411 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
2.90 |
8.34 |
-110.06 |
3 |
2 |
2 |
21 |
238.419 |
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 |
7.29 |
-32.43 |
2 |
2 |
1 |
16 |
237.411 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
2.90 |
8.45 |
-110.77 |
3 |
2 |
2 |
21 |
238.419 |
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 |
8.98 |
-28.37 |
2 |
2 |
1 |
16 |
237.411 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
2.90 |
9 |
-111.91 |
3 |
2 |
2 |
21 |
238.419 |
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)
|
3.77 |
10.21 |
-30.53 |
2 |
2 |
1 |
16 |
265.465 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.77 |
10.62 |
-113.38 |
3 |
2 |
2 |
21 |
266.473 |
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)
|
3.77 |
8.83 |
-30.33 |
2 |
2 |
1 |
16 |
265.465 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.77 |
9.94 |
-112.6 |
3 |
2 |
2 |
21 |
266.473 |
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)
|
3.77 |
8.98 |
-32.85 |
2 |
2 |
1 |
16 |
265.465 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.77 |
10.04 |
-112.64 |
3 |
2 |
2 |
21 |
266.473 |
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)
|
3.77 |
10.61 |
-28.99 |
2 |
2 |
1 |
16 |
265.465 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.77 |
10.6 |
-113.29 |
3 |
2 |
2 |
21 |
266.473 |
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)
|
3.28 |
9.28 |
-36.56 |
1 |
2 |
1 |
28 |
233.379 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
3.28 |
7.53 |
-5.86 |
0 |
2 |
0 |
27 |
232.371 |
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 |
9.55 |
-43.07 |
1 |
2 |
1 |
28 |
233.379 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
3.28 |
7.38 |
-4.21 |
0 |
2 |
0 |
27 |
232.371 |
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 |
9.54 |
-43.12 |
1 |
2 |
1 |
28 |
233.379 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
3.28 |
7.37 |
-4.17 |
0 |
2 |
0 |
27 |
232.371 |
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 |
9.36 |
-37.95 |
1 |
2 |
1 |
28 |
233.379 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
3.28 |
7.84 |
-6.09 |
0 |
2 |
0 |
27 |
232.371 |
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)
|
2.48 |
6.63 |
-28.68 |
2 |
2 |
1 |
25 |
224.368 |
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)
|
2.48 |
6.09 |
-31.26 |
2 |
2 |
1 |
25 |
224.368 |
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)
|
2.48 |
5.98 |
-32.11 |
2 |
2 |
1 |
25 |
224.368 |
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)
|
2.48 |
6.5 |
-29.18 |
2 |
2 |
1 |
25 |
224.368 |
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)
|
2.74 |
9.69 |
-29.28 |
1 |
3 |
0 |
45 |
251.37 |
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)
|
2.74 |
9.71 |
-43.64 |
1 |
3 |
0 |
45 |
251.37 |
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)
|
2.74 |
9.81 |
-45.13 |
1 |
3 |
0 |
45 |
251.37 |
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)
|
2.74 |
9.94 |
-30.07 |
1 |
3 |
0 |
45 |
251.37 |
2 |
↓
|
|