|
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)
|
-0.66 |
3.44 |
-11.64 |
1 |
5 |
0 |
56 |
209.249 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.66 |
4.43 |
-39.84 |
2 |
5 |
1 |
61 |
210.257 |
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)
|
-0.66 |
3.08 |
-8.5 |
1 |
5 |
0 |
56 |
209.249 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.66 |
4.29 |
-41.14 |
2 |
5 |
1 |
61 |
210.257 |
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)
|
-0.66 |
3.53 |
-11.03 |
1 |
5 |
0 |
56 |
209.249 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.66 |
4.54 |
-38.86 |
2 |
5 |
1 |
61 |
210.257 |
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)
|
-0.66 |
3.03 |
-15.24 |
1 |
5 |
0 |
56 |
209.249 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.66 |
4.21 |
-47.95 |
2 |
5 |
1 |
61 |
210.257 |
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)
|
-0.56 |
4.34 |
-9.96 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.56 |
5.26 |
-39.37 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
-0.56 |
4.24 |
-10.01 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.56 |
5.17 |
-39.22 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
-0.56 |
4.29 |
-13.26 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.56 |
5.24 |
-40.35 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
-0.56 |
4.29 |
-14.2 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.56 |
5.24 |
-40.14 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
0.18 |
5.38 |
-10.14 |
1 |
5 |
0 |
56 |
251.33 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.18 |
6.24 |
-47.94 |
2 |
5 |
1 |
61 |
252.338 |
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)
|
0.18 |
4.76 |
-8.42 |
1 |
5 |
0 |
56 |
251.33 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.18 |
5.71 |
-45.7 |
2 |
5 |
1 |
61 |
252.338 |
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)
|
0.18 |
4.83 |
-12.65 |
1 |
5 |
0 |
56 |
251.33 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.18 |
5.69 |
-52.05 |
2 |
5 |
1 |
61 |
252.338 |
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)
|
0.18 |
5.17 |
-8.45 |
1 |
5 |
0 |
56 |
251.33 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.18 |
6.17 |
-47.58 |
2 |
5 |
1 |
61 |
252.338 |
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)
|
-0.29 |
3.74 |
-8.35 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.29 |
4.96 |
-41.06 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
-0.29 |
4.12 |
-11.54 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.29 |
5.11 |
-39.77 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
-0.29 |
3.71 |
-15.14 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.29 |
4.89 |
-47.78 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
-0.29 |
4.21 |
-10.75 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.29 |
5.21 |
-38.8 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
0.08 |
4.63 |
-10.52 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.08 |
5.49 |
-48.05 |
2 |
5 |
1 |
61 |
238.311 |
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)
|
0.08 |
3.99 |
-8.73 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.08 |
4.96 |
-45.7 |
2 |
5 |
1 |
61 |
238.311 |
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)
|
0.08 |
4.06 |
-12.98 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.08 |
4.93 |
-51.95 |
2 |
5 |
1 |
61 |
238.311 |
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)
|
0.08 |
4.4 |
-8.89 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.08 |
5.41 |
-47.62 |
2 |
5 |
1 |
61 |
238.311 |
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)
|
-0.30 |
3.72 |
-8.9 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.30 |
4.73 |
-47.66 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
-0.30 |
3.31 |
-8.91 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.30 |
4.29 |
-45.8 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
-0.30 |
3.39 |
-13.12 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.30 |
4.25 |
-52.07 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
-0.30 |
3.95 |
-10.68 |
1 |
5 |
0 |
56 |
223.276 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.30 |
4.81 |
-48.15 |
2 |
5 |
1 |
61 |
224.284 |
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)
|
-0.19 |
4.71 |
-10.46 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.19 |
5.57 |
-48.08 |
2 |
5 |
1 |
61 |
238.311 |
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)
|
-0.19 |
4.61 |
-10.67 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.19 |
5.48 |
-48.31 |
2 |
5 |
1 |
61 |
238.311 |
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)
|
-0.19 |
4.7 |
-9.68 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.19 |
5.53 |
-49.24 |
2 |
5 |
1 |
61 |
238.311 |
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)
|
-0.19 |
4.71 |
-9.96 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.19 |
5.52 |
-47.67 |
2 |
5 |
1 |
61 |
238.311 |
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)
|
-0.18 |
4.51 |
-8.05 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.18 |
5.72 |
-41.06 |
2 |
5 |
1 |
61 |
238.311 |
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)
|
-0.18 |
4.88 |
-11.38 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.18 |
5.87 |
-39.88 |
2 |
5 |
1 |
61 |
238.311 |
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)
|
-0.18 |
4.49 |
-14.57 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.18 |
5.65 |
-48.64 |
2 |
5 |
1 |
61 |
238.311 |
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)
|
-0.18 |
4.98 |
-9.7 |
1 |
5 |
0 |
56 |
237.303 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
-0.18 |
5.9 |
-38.45 |
2 |
5 |
1 |
61 |
238.311 |
4 |
↓
|
|