|
|
|
|
|
Analogs
-
41200942
-
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)
|
3.41 |
8.77 |
-34.79 |
2 |
2 |
1 |
29 |
289.399 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.41 |
7.51 |
-5.68 |
1 |
2 |
0 |
25 |
288.391 |
4 |
↓
|
|
|
Analogs
-
41200939
-
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)
|
3.41 |
8.86 |
-36.08 |
2 |
2 |
1 |
29 |
289.399 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.41 |
7.67 |
-5.89 |
1 |
2 |
0 |
25 |
288.391 |
4 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
-
41200985
-
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)
|
3.53 |
8.81 |
-41.1 |
2 |
2 |
1 |
29 |
307.389 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.53 |
7.83 |
-9.09 |
1 |
2 |
0 |
25 |
306.381 |
4 |
↓
|
|
|
Analogs
-
41200982
-
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)
|
3.53 |
8.92 |
-41.46 |
2 |
2 |
1 |
29 |
307.389 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.53 |
7.72 |
-5.22 |
1 |
2 |
0 |
25 |
306.381 |
4 |
↓
|
|
|
|
|
|
|
Analogs
-
41201039
-
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)
|
4.17 |
9.36 |
-39.5 |
2 |
2 |
1 |
29 |
368.295 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
4.17 |
8.36 |
-7.66 |
1 |
2 |
0 |
25 |
367.287 |
4 |
↓
|
|
|
Analogs
-
41201036
-
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)
|
4.17 |
9.45 |
-39.82 |
2 |
2 |
1 |
29 |
368.295 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
4.17 |
8.27 |
-4.53 |
1 |
2 |
0 |
25 |
367.287 |
4 |
↓
|
|
|
Analogs
-
41201077
-
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)
|
3.53 |
8.61 |
-35.04 |
2 |
2 |
1 |
29 |
307.389 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.53 |
8.1 |
-4.63 |
1 |
2 |
0 |
25 |
306.381 |
4 |
↓
|
|
|
Analogs
-
41201074
-
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)
|
3.53 |
9 |
-36.78 |
2 |
2 |
1 |
29 |
307.389 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.53 |
7.68 |
-3.7 |
1 |
2 |
0 |
25 |
306.381 |
4 |
↓
|
|
|
Analogs
-
41201090
-
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)
|
3.95 |
9.23 |
-34.89 |
2 |
2 |
1 |
29 |
305.854 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.95 |
7.96 |
-5.86 |
1 |
2 |
0 |
25 |
304.846 |
4 |
↓
|
|
|
Analogs
-
41201087
-
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)
|
3.95 |
9.31 |
-36.36 |
2 |
2 |
1 |
29 |
305.854 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.95 |
8.12 |
-4.21 |
1 |
2 |
0 |
25 |
304.846 |
4 |
↓
|
|
|
Analogs
-
41201099
-
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 |
7.87 |
-30.24 |
2 |
3 |
1 |
39 |
301.435 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.28 |
7.36 |
-6.55 |
1 |
3 |
0 |
34 |
300.427 |
5 |
↓
|
|
|
Analogs
-
41201096
-
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 |
8.24 |
-31.44 |
2 |
3 |
1 |
39 |
301.435 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.28 |
6.92 |
-5.67 |
1 |
3 |
0 |
34 |
300.427 |
5 |
↓
|
|
|
Analogs
-
41201105
-
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)
|
3.93 |
9.23 |
-33.93 |
2 |
2 |
1 |
29 |
305.854 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.93 |
7.97 |
-5.25 |
1 |
2 |
0 |
25 |
304.846 |
4 |
↓
|
|
|
Analogs
-
41201102
-
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)
|
3.93 |
9.3 |
-35.16 |
2 |
2 |
1 |
29 |
305.854 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.93 |
8.12 |
-5.02 |
1 |
2 |
0 |
25 |
304.846 |
4 |
↓
|
|
|
|
|
|
|
|
|
|
|
Analogs
-
41201135
-
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)
|
4.08 |
9.33 |
-35.04 |
2 |
2 |
1 |
29 |
350.305 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
4.08 |
8.07 |
-5.83 |
1 |
2 |
0 |
25 |
349.297 |
4 |
↓
|
|
|
Analogs
-
41201132
-
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)
|
4.08 |
9.42 |
-36.48 |
2 |
2 |
1 |
29 |
350.305 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
4.08 |
8.23 |
-4.13 |
1 |
2 |
0 |
25 |
349.297 |
4 |
↓
|
|
|
Analogs
-
41201141
-
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 |
8.77 |
-35.82 |
2 |
2 |
1 |
29 |
289.399 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
3.44 |
7.51 |
-6.37 |
1 |
2 |
0 |
25 |
288.391 |
4 |
↓
|
|
|
Analogs
-
41201138
-
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 |
8.86 |
-37.24 |
2 |
2 |
1 |
29 |
289.399 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
3.44 |
7.67 |
-4.68 |
1 |
2 |
0 |
25 |
288.391 |
4 |
↓
|
|
|
Analogs
-
41201146
-
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)
|
4.06 |
9.33 |
-33.92 |
2 |
2 |
1 |
29 |
350.305 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
4.06 |
8.07 |
-5.13 |
1 |
2 |
0 |
25 |
349.297 |
4 |
↓
|
|
|
Analogs
-
41201143
-
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)
|
4.06 |
9.41 |
-35.17 |
2 |
2 |
1 |
29 |
350.305 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
4.06 |
8.23 |
-4.92 |
1 |
2 |
0 |
25 |
349.297 |
4 |
↓
|
|
|
Analogs
-
41201155
-
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)
|
3.30 |
7.99 |
-32.33 |
2 |
3 |
1 |
39 |
301.435 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.30 |
6.74 |
-8.62 |
1 |
3 |
0 |
34 |
300.427 |
5 |
↓
|
|
|
Analogs
-
41201152
-
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)
|
3.30 |
8.08 |
-33.62 |
2 |
3 |
1 |
39 |
301.435 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
3.30 |
6.9 |
-5.87 |
1 |
3 |
0 |
34 |
300.427 |
5 |
↓
|
|
|
Analogs
-
41201161
-
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)
|
3.90 |
8.93 |
-30.87 |
2 |
2 |
1 |
29 |
305.854 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.90 |
8.42 |
-5.33 |
1 |
2 |
0 |
25 |
304.846 |
4 |
↓
|
|
|
Analogs
-
41201158
-
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)
|
3.90 |
9.23 |
-32.13 |
2 |
2 |
1 |
29 |
305.854 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.90 |
8.03 |
-4.29 |
1 |
2 |
0 |
25 |
304.846 |
4 |
↓
|
|
|
Analogs
-
41201189
-
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)
|
3.33 |
7.99 |
-34.85 |
2 |
3 |
1 |
39 |
301.435 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.33 |
7.01 |
-7.52 |
1 |
3 |
0 |
34 |
300.427 |
5 |
↓
|
|
|
Analogs
-
41201187
-
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)
|
3.33 |
8.06 |
-34.58 |
2 |
3 |
1 |
39 |
301.435 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.33 |
6.95 |
-7.85 |
1 |
3 |
0 |
34 |
300.427 |
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)
|
4.03 |
8.96 |
-30.61 |
2 |
2 |
1 |
29 |
350.305 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
4.03 |
8.46 |
-5.29 |
1 |
2 |
0 |
25 |
349.297 |
4 |
↓
|
|
|
Analogs
-
41201232
-
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)
|
3.70 |
9.7 |
-35.14 |
2 |
2 |
1 |
29 |
317.503 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.70 |
8.72 |
-7.16 |
1 |
2 |
0 |
25 |
316.495 |
5 |
↓
|
|
|
Analogs
-
41201229
-
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)
|
3.70 |
9.78 |
-34.78 |
2 |
2 |
1 |
29 |
317.503 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
3.70 |
8.68 |
-6.79 |
1 |
2 |
0 |
25 |
316.495 |
5 |
↓
|
|
|
Analogs
-
41201238
-
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 |
8.54 |
-31.74 |
2 |
2 |
1 |
29 |
289.399 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.39 |
8.04 |
-5.79 |
1 |
2 |
0 |
25 |
288.391 |
4 |
↓
|
|
|
Analogs
-
41201235
-
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 |
8.93 |
-33.07 |
2 |
2 |
1 |
29 |
289.399 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
3.39 |
7.62 |
-4.88 |
1 |
2 |
0 |
25 |
288.391 |
4 |
↓
|
|
|
Analogs
-
41201259
-
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)
|
4.10 |
9.91 |
-32.01 |
2 |
2 |
1 |
29 |
299.463 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
4.10 |
8.93 |
-6.24 |
1 |
2 |
0 |
25 |
298.455 |
4 |
↓
|
|
|
Analogs
-
41201256
-
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)
|
4.10 |
9.99 |
-31.65 |
2 |
2 |
1 |
29 |
299.463 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
4.10 |
8.89 |
-6.62 |
1 |
2 |
0 |
25 |
298.455 |
4 |
↓
|
|