|
Analogs
-
8214760
-
-
8143632
-
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
-5.28 |
-14.78 |
-150.46 |
19 |
19 |
3 |
339 |
584.604 |
11 |
↓
|
Mid
Mid (pH 6-8)
|
-5.28 |
-16.18 |
-95.14 |
18 |
19 |
2 |
335 |
583.596 |
11 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
-5.51 |
-26.31 |
-19.41 |
14 |
19 |
0 |
321 |
645.608 |
9 |
↓
|
Mid
Mid (pH 6-8)
|
-5.51 |
-25.34 |
-49.38 |
15 |
19 |
1 |
326 |
646.616 |
9 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
-5.51 |
-26.09 |
-18.7 |
14 |
19 |
0 |
321 |
645.608 |
9 |
↓
|
Mid
Mid (pH 6-8)
|
-5.51 |
-25.4 |
-47.44 |
15 |
19 |
1 |
326 |
646.616 |
9 |
↓
|
|
|
Analogs
-
33845547
-
-
1531140
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 8 More
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)
|
2.56 |
2.24 |
-6.83 |
0 |
1 |
0 |
17 |
164.248 |
3 |
↓
|
|
|
Analogs
-
35525
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 6 More
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)
|
2.39 |
0.76 |
-13.88 |
1 |
5 |
0 |
65 |
245.234 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.39 |
1.69 |
-51.13 |
0 |
5 |
-1 |
68 |
244.226 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 6 More
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)
|
3.60 |
7.87 |
-12.94 |
0 |
6 |
0 |
67 |
342.347 |
5 |
↓
|
|
|
Analogs
-
608165
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 23 More
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)
|
2.70 |
7.84 |
-11.18 |
0 |
6 |
0 |
57 |
369.417 |
2 |
↓
|
|
|
Analogs
-
5699358
-
-
5699362
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 42 More
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)
|
2.91 |
3.61 |
-10.65 |
2 |
4 |
0 |
75 |
240.214 |
0 |
↓
|
Hi
High (pH 8-9.5)
|
2.91 |
4.53 |
-45.52 |
1 |
4 |
-1 |
77 |
239.206 |
0 |
↓
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 48 More
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)
|
-2.03 |
-7.26 |
-11.03 |
5 |
7 |
0 |
113 |
158.117 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
-2.78 |
-12.09 |
-35.58 |
6 |
7 |
1 |
122 |
159.125 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
-2.78 |
-13.67 |
-13.57 |
5 |
7 |
0 |
120 |
158.117 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 49 More
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)
|
-2.03 |
-7.26 |
-11.05 |
5 |
7 |
0 |
113 |
158.117 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
-2.78 |
-13.65 |
-13.6 |
5 |
7 |
0 |
120 |
158.117 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
-2.78 |
-12.06 |
-35.62 |
6 |
7 |
1 |
122 |
159.125 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 6 More
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)
|
4.74 |
4.12 |
-16.76 |
4 |
6 |
0 |
115 |
376.364 |
0 |
↓
|
Hi
High (pH 8-9.5)
|
4.74 |
5.13 |
-66.02 |
3 |
6 |
-1 |
118 |
375.356 |
0 |
↓
|
Hi
High (pH 8-9.5)
|
3.56 |
7.4 |
-123 |
1 |
6 |
-2 |
118 |
374.348 |
0 |
↓
|
|
|
Analogs
-
5368587
-
-
5945454
-
-
13536861
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 42 More
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 |
7.98 |
-12.07 |
0 |
4 |
0 |
39 |
285.343 |
3 |
↓
|
|
|
|
|
|
|
Analogs
-
370772
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 8 More
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)
|
-0.97 |
-1.19 |
-16.13 |
4 |
7 |
0 |
110 |
209.209 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
-0.97 |
-0.93 |
-38.71 |
5 |
7 |
1 |
111 |
210.217 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
-0.97 |
-5.3 |
-37.36 |
5 |
7 |
1 |
111 |
210.217 |
3 |
↓
|
|
|
Analogs
-
370776
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 6 More
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)
|
-0.97 |
-1.27 |
-15 |
4 |
7 |
0 |
110 |
209.209 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
-0.97 |
-5.39 |
-36.69 |
5 |
7 |
1 |
111 |
210.217 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
-0.97 |
-0.9 |
-38.73 |
5 |
7 |
1 |
111 |
210.217 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 7 More
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 |
7.24 |
-14.5 |
0 |
4 |
0 |
57 |
204.181 |
2 |
↓
|
|
|
Analogs
-
4015531
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 44 More
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)
|
-1.82 |
-4.43 |
-23.87 |
4 |
9 |
0 |
133 |
268.229 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
-1.36 |
-6.52 |
-59.54 |
3 |
9 |
-1 |
137 |
267.221 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 34 More
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)
|
1.33 |
3.16 |
-12.54 |
1 |
4 |
0 |
60 |
192.17 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 84 More
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)
|
-1.61 |
-0.6 |
-19.69 |
4 |
8 |
0 |
119 |
225.208 |
4 |
↓
|
|
|
Analogs
-
12496173
-
-
35822478
-
-
2053
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 33 More
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)
|
-1.04 |
-7.34 |
-8.93 |
5 |
7 |
0 |
120 |
286.28 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 25 More
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)
|
1.96 |
2.54 |
-7.62 |
2 |
3 |
0 |
37 |
202.257 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 7 More
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 |
7.43 |
-13 |
0 |
6 |
0 |
57 |
369.417 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 9 More
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)
|
0.48 |
2.35 |
-11.66 |
1 |
4 |
0 |
55 |
202.213 |
0 |
↓
|
Ref
Reference (pH 7)
|
0.48 |
2.35 |
-11.88 |
1 |
4 |
0 |
55 |
202.213 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 1 More
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)
|
1.75 |
4.95 |
-40.62 |
0 |
3 |
-1 |
57 |
187.174 |
0 |
↓
|
Mid
Mid (pH 6-8)
|
0.71 |
4.76 |
-9.6 |
0 |
3 |
0 |
51 |
188.182 |
0 |
↓
|
Mid
Mid (pH 6-8)
|
1.75 |
3.99 |
-26.74 |
1 |
3 |
0 |
54 |
188.182 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 55 More
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)
|
1.51 |
3.16 |
-12.7 |
1 |
3 |
0 |
50 |
162.144 |
0 |
↓
|
|
|
|
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 5 More
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)
|
2.88 |
2.78 |
-13.15 |
0 |
4 |
0 |
45 |
229.235 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.88 |
3.84 |
-22.37 |
1 |
4 |
1 |
46 |
230.243 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 1 More
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 |
6.17 |
-15.92 |
2 |
5 |
0 |
70 |
203.249 |
2 |
↓
|
|
|
Analogs
-
1583701
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 8 More
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)
|
5.73 |
9.29 |
-12.67 |
2 |
5 |
0 |
80 |
404.462 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
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)
|
3.55 |
7.89 |
-10.72 |
0 |
4 |
0 |
53 |
258.273 |
2 |
↓
|
|
|
Analogs
-
6117388
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 42 More
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)
|
3.13 |
3.69 |
-11.62 |
2 |
4 |
0 |
75 |
240.214 |
0 |
↓
|
|
|
Analogs
-
34583707
-
-
39283830
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 18 More
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)
|
1.78 |
4.24 |
-7.85 |
1 |
3 |
0 |
54 |
188.182 |
0 |
↓
|
|
|
Analogs
-
622126
-
-
537809
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 40 More
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)
|
1.58 |
4.81 |
-12.73 |
0 |
6 |
0 |
71 |
352.77 |
3 |
↓
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 43 More
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)
|
1.37 |
-4.31 |
-13.19 |
5 |
6 |
0 |
110 |
290.271 |
1 |
↓
|
|
|
Analogs
-
4098705
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 39 More
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)
|
3.01 |
1.74 |
-10.81 |
3 |
5 |
0 |
95 |
270.24 |
0 |
↓
|
Hi
High (pH 8-9.5)
|
3.01 |
2.52 |
-45.75 |
2 |
5 |
-1 |
98 |
269.232 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 8 More
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)
|
0.02 |
3.13 |
-21.32 |
0 |
4 |
0 |
55 |
164.164 |
1 |
↓
|
|
|
|
|
Analogs
-
38778360
-
-
39284619
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 29 More
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)
|
3.54 |
4.57 |
-10.59 |
2 |
4 |
0 |
75 |
254.241 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 87 More
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)
|
2.41 |
3.99 |
-43.94 |
2 |
6 |
1 |
78 |
346.432 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.41 |
3.56 |
-24.45 |
1 |
6 |
0 |
77 |
345.424 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 79 More
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)
|
2.41 |
4.06 |
-43.78 |
2 |
6 |
1 |
78 |
346.432 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.41 |
3.62 |
-13.05 |
1 |
6 |
0 |
77 |
345.424 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 37 More
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)
|
3.48 |
6.16 |
-10.65 |
1 |
3 |
0 |
46 |
220.231 |
0 |
↓
|
Mid
Mid (pH 6-8)
|
3.49 |
4.15 |
-24.93 |
1 |
3 |
0 |
46 |
220.231 |
0 |
↓
|
Mid
Mid (pH 6-8)
|
3.48 |
6.17 |
-10.96 |
1 |
3 |
0 |
46 |
220.231 |
0 |
↓
|
|
|
Analogs
-
89382
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 39 More
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)
|
0.85 |
5.79 |
-36.36 |
7 |
5 |
1 |
102 |
212.664 |
3 |
↓
|
Ref
Reference (pH 7)
|
0.98 |
5.93 |
-28.51 |
7 |
5 |
1 |
100 |
212.664 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
0.98 |
5.94 |
-5.07 |
6 |
5 |
0 |
98 |
211.656 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 36 More
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)
|
3.06 |
6.04 |
-11.94 |
2 |
6 |
0 |
87 |
295.298 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 47 More
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)
|
2.92 |
5.45 |
-8.46 |
2 |
5 |
0 |
70 |
265.338 |
4 |
↓
|
Ref
Reference (pH 7)
|
2.92 |
5.45 |
-9.77 |
2 |
5 |
0 |
70 |
265.338 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 14 More
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 |
Mid
Mid (pH 6-8)
|
1.65 |
3.61 |
-56.38 |
2 |
8 |
-1 |
132 |
354.389 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
1.65 |
1.63 |
-20.55 |
3 |
8 |
0 |
129 |
355.397 |
6 |
↓
|
|