|
Analogs
-
33984
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 12 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
77 |
0.45 |
Binding ≤ 10μM
|
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)
|
3.12 |
5.15 |
-14.79 |
2 |
6 |
0 |
77 |
300.314 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-2-E |
Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
530 |
0.35 |
Binding ≤ 10μM
|
FAAH1-3-E |
Anandamide Amidohydrolase (cluster #3 Of 7), Eukaryotic |
Eukaryotes |
23 |
0.43 |
Binding ≤ 10μM
|
MGLL-1-E |
Monoglyceride Lipase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
26 |
0.42 |
Binding ≤ 10μM
|
PA24A-1-E |
Cytosolic Phospholipase A2 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
640 |
0.35 |
Binding ≤ 10μM
|
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)
|
6.57 |
14.77 |
-7.21 |
0 |
2 |
0 |
26 |
370.489 |
16 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNR1-2-E |
Cannabinoid CB1 Receptor (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
530 |
0.35 |
Binding ≤ 10μM
|
FAAH1-3-E |
Anandamide Amidohydrolase (cluster #3 Of 7), Eukaryotic |
Eukaryotes |
23 |
0.43 |
Binding ≤ 10μM
|
MGLL-1-E |
Monoglyceride Lipase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
26 |
0.42 |
Binding ≤ 10μM
|
PA24A-1-E |
Cytosolic Phospholipase A2 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
640 |
0.35 |
Binding ≤ 10μM
|
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)
|
6.57 |
14.77 |
-7.22 |
0 |
2 |
0 |
26 |
370.489 |
16 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 64 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-7-E |
Anandamide Amidohydrolase (cluster #7 Of 7), Eukaryotic |
Eukaryotes |
3300 |
0.85 |
Binding ≤ 10μM
|
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 |
-0.49 |
-8.63 |
2 |
3 |
0 |
56 |
122.127 |
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)
|
5.65 |
10.06 |
-9.33 |
2 |
3 |
0 |
49 |
347.543 |
16 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
EST1-6-E |
Carboxylesterase (cluster #6 Of 7), Eukaryotic |
Eukaryotes |
500 |
0.32 |
Binding ≤ 10μM
|
FAAH1-5-E |
Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
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)
|
8.20 |
14.1 |
-13.02 |
0 |
4 |
0 |
56 |
382.548 |
14 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
EST1-6-E |
Carboxylesterase (cluster #6 Of 7), Eukaryotic |
Eukaryotes |
1 |
0.57 |
Binding ≤ 10μM
|
FAAH1-5-E |
Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
9 |
0.51 |
Binding ≤ 10μM
|
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)
|
4.19 |
8.61 |
-12.58 |
0 |
4 |
0 |
56 |
294.354 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
4.19 |
8.87 |
-41.41 |
1 |
4 |
1 |
57 |
295.362 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
EST1-6-E |
Carboxylesterase (cluster #6 Of 7), Eukaryotic |
Eukaryotes |
600 |
0.35 |
Binding ≤ 10μM
|
FAAH1-5-E |
Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
5 |
0.46 |
Binding ≤ 10μM
|
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)
|
4.87 |
0.21 |
-9.29 |
0 |
4 |
0 |
55 |
334.419 |
9 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 16 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
63 |
0.40 |
Binding ≤ 10μM
|
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)
|
5.59 |
6.39 |
-14.51 |
3 |
5 |
0 |
81 |
338.407 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-6-E |
Anandamide Amidohydrolase (cluster #6 Of 7), Eukaryotic |
Eukaryotes |
8000 |
0.21 |
Binding ≤ 10μM
|
TRPV1-1-E |
Vanilloid Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
270 |
0.27 |
Functional ≤ 10μM
|
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)
|
7.73 |
14.36 |
-14.02 |
3 |
4 |
0 |
65 |
462.678 |
17 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-5-E |
Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
4000 |
0.26 |
Binding ≤ 10μM
|
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)
|
3.78 |
-2.34 |
-15.08 |
1 |
9 |
0 |
119 |
427.467 |
7 |
↓
|
|
|
Analogs
-
12367515
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
4000 |
0.33 |
Binding ≤ 10μM
|
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)
|
5.11 |
1.14 |
-10.98 |
1 |
4 |
0 |
50 |
324.405 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-4-E |
Anandamide Amidohydrolase (cluster #4 Of 7), Eukaryotic |
Eukaryotes |
10000 |
0.29 |
Binding ≤ 10μM
|
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)
|
7.00 |
13.37 |
-8.25 |
0 |
3 |
0 |
39 |
336.516 |
17 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-4-E |
Anandamide Amidohydrolase (cluster #4 Of 7), Eukaryotic |
Eukaryotes |
10000 |
0.29 |
Binding ≤ 10μM
|
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)
|
7.00 |
13.37 |
-8.28 |
0 |
3 |
0 |
39 |
336.516 |
17 |
↓
|
|
|
Analogs
-
43569509
-
-
43569511
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-4-E |
Anandamide Amidohydrolase (cluster #4 Of 7), Eukaryotic |
Eukaryotes |
8200 |
0.32 |
Binding ≤ 10μM
|
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)
|
6.71 |
12.14 |
-7.4 |
0 |
3 |
0 |
39 |
310.478 |
16 |
↓
|
|
|
Analogs
-
43569509
-
-
43569511
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-4-E |
Anandamide Amidohydrolase (cluster #4 Of 7), Eukaryotic |
Eukaryotes |
8200 |
0.32 |
Binding ≤ 10μM
|
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)
|
6.71 |
12.14 |
-7.43 |
0 |
3 |
0 |
39 |
310.478 |
16 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
2 |
0.35 |
Binding ≤ 10μM
|
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)
|
6.10 |
15.6 |
-18.89 |
1 |
5 |
0 |
56 |
471.576 |
11 |
↓
|
Mid
Mid (pH 6-8)
|
6.10 |
16.01 |
-38.21 |
2 |
5 |
1 |
57 |
472.584 |
11 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-4-E |
Anandamide Amidohydrolase (cluster #4 Of 7), Eukaryotic |
Eukaryotes |
6000 |
0.28 |
Binding ≤ 10μM
|
MGLL-5-E |
Monoglyceride Lipase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
4500 |
0.29 |
Binding ≤ 10μM
|
MGLL-5-E |
Monoglyceride Lipase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
6300 |
0.28 |
Binding ≤ 10μM
|
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)
|
6.56 |
14.33 |
-8.78 |
0 |
3 |
0 |
39 |
360.538 |
17 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-5-E |
Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
1 |
0.57 |
Binding ≤ 10μM
|
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)
|
6.07 |
9.5 |
-10.82 |
0 |
4 |
0 |
56 |
302.418 |
11 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
766 |
0.45 |
Binding ≤ 10μM
|
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)
|
4.72 |
-0.82 |
-7.19 |
1 |
3 |
0 |
38 |
322.202 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 1 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-2-E |
Anandamide Amidohydrolase (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
3700 |
0.30 |
Binding ≤ 10μM
|
MGLL-5-E |
Monoglyceride Lipase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
6457 |
0.29 |
Binding ≤ 10μM
|
PA24A-1-E |
Cytosolic Phospholipase A2 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
2300 |
0.32 |
Binding ≤ 10μM
|
PA24B-2-E |
Phospholipase A2 Group 1VB (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
800 |
0.34 |
Binding ≤ 10μM
|
PA24C-2-E |
Cytosolic Phospholipase A2 Gamma (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
420 |
0.36 |
Binding ≤ 10μM
|
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)
|
7.27 |
15.35 |
-4.57 |
0 |
1 |
0 |
17 |
356.472 |
15 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
EST1-6-E |
Carboxylesterase (cluster #6 Of 7), Eukaryotic |
Eukaryotes |
1000 |
0.30 |
Binding ≤ 10μM
|
FAAH1-5-E |
Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
23 |
0.38 |
Binding ≤ 10μM
|
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)
|
8.48 |
13.89 |
-11.04 |
0 |
4 |
0 |
56 |
384.564 |
16 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
EST1-6-E |
Carboxylesterase (cluster #6 Of 7), Eukaryotic |
Eukaryotes |
3 |
0.52 |
Binding ≤ 10μM
|
FAAH1-5-E |
Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
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)
|
4.70 |
9.39 |
-12.25 |
0 |
4 |
0 |
56 |
308.381 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
4.70 |
9.65 |
-40.64 |
1 |
4 |
1 |
57 |
309.389 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
7000 |
0.31 |
Binding ≤ 10μM
|
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)
|
2.34 |
5.87 |
-11.35 |
1 |
6 |
0 |
81 |
330.344 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
2.34 |
6.63 |
-41.48 |
0 |
6 |
-1 |
84 |
329.336 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-4-E |
Anandamide Amidohydrolase (cluster #4 Of 7), Eukaryotic |
Eukaryotes |
1600 |
0.34 |
Binding ≤ 10μM
|
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)
|
5.98 |
13.07 |
-8.52 |
0 |
3 |
0 |
39 |
334.5 |
16 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-4-E |
Anandamide Amidohydrolase (cluster #4 Of 7), Eukaryotic |
Eukaryotes |
1600 |
0.34 |
Binding ≤ 10μM
|
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)
|
5.98 |
13.07 |
-8.54 |
0 |
3 |
0 |
39 |
334.5 |
16 |
↓
|
|
|
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)
|
7.50 |
13.41 |
-10.21 |
2 |
3 |
0 |
49 |
395.587 |
15 |
↓
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
5421 |
0.43 |
Binding ≤ 10μM
|
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)
|
5.47 |
6.87 |
-7.5 |
1 |
3 |
0 |
38 |
233.311 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
EST1-2-E |
Carboxylesterase (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
4800 |
0.32 |
Binding ≤ 10μM
|
FAAH1-2-E |
Anandamide Amidohydrolase (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
82 |
0.43 |
Binding ≤ 10μM |
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)
|
8.36 |
14.67 |
-3.83 |
0 |
1 |
0 |
17 |
334.466 |
16 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
63 |
0.46 |
Binding ≤ 10μM
|
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)
|
6.79 |
0.14 |
-9.28 |
1 |
3 |
0 |
38 |
295.382 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
520 |
0.46 |
Binding ≤ 10μM
|
Z50594-1-O |
Mus Musculus (cluster #1 Of 1), Other |
Other |
690 |
0.45 |
ADME/T ≤ 10μM
|
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)
|
3.04 |
-3.49 |
-8.22 |
1 |
4 |
0 |
50 |
278.377 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 7 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
34 |
0.40 |
Binding ≤ 10μM |
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)
|
3.91 |
9.81 |
-14.4 |
1 |
6 |
0 |
61 |
365.462 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 7 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-5-E |
Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
18 |
0.33 |
Binding ≤ 10μM
|
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)
|
5.55 |
9.29 |
-21.84 |
1 |
6 |
0 |
79 |
497.667 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 1 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-5-E |
Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
15 |
0.34 |
Binding ≤ 10μM
|
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)
|
5.13 |
8.64 |
-23.14 |
1 |
6 |
0 |
79 |
483.64 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-5-E |
Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
2370 |
0.25 |
Binding ≤ 10μM
|
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)
|
5.63 |
-2.23 |
-21.94 |
1 |
5 |
0 |
62 |
461.612 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
8330 |
0.23 |
Binding ≤ 10μM
|
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)
|
4.88 |
8.42 |
-13.97 |
1 |
7 |
0 |
71 |
449.458 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-7-E |
Anandamide Amidohydrolase (cluster #7 Of 7), Eukaryotic |
Eukaryotes |
2 |
0.53 |
Binding ≤ 10μM
|
MGLL-2-E |
Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
55 |
0.44 |
Binding ≤ 10μM
|
Z80420-2-O |
RBL-2H3 (Basophilic Leukemia Cells) (cluster #2 Of 2), Other |
Other |
15 |
0.48 |
Functional ≤ 10μM
|
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)
|
3.08 |
9.01 |
-7.88 |
0 |
6 |
0 |
64 |
307.357 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
500 |
0.34 |
Binding ≤ 10μM
|
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 |
7.56 |
-15.07 |
1 |
5 |
0 |
48 |
346.434 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.06 |
9.88 |
-51.62 |
2 |
5 |
1 |
50 |
347.442 |
3 |
↓
|
Mid
Mid (pH 6-8)
|
3.06 |
7.92 |
-39.29 |
2 |
5 |
1 |
50 |
347.442 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-5-E |
Anandamide Amidohydrolase (cluster #5 Of 7), Eukaryotic |
Eukaryotes |
270 |
0.33 |
Binding ≤ 10μM
|
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)
|
3.62 |
6.3 |
-20.98 |
1 |
6 |
0 |
79 |
433.58 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
160 |
0.50 |
Binding ≤ 10μM
|
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)
|
3.02 |
-0.97 |
-11.44 |
1 |
5 |
0 |
64 |
277.349 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
1300 |
0.37 |
Binding ≤ 10μM
|
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)
|
4.52 |
1.99 |
-12.82 |
1 |
3 |
0 |
41 |
296.414 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
4.52 |
1.62 |
-28.39 |
2 |
3 |
1 |
43 |
297.422 |
5 |
↓
|
|
|
Analogs
-
37009424
-
-
37009425
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
1300 |
0.37 |
Binding ≤ 10μM
|
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)
|
4.52 |
1.98 |
-12.99 |
1 |
3 |
0 |
41 |
296.414 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
4.52 |
1.62 |
-28.33 |
2 |
3 |
1 |
43 |
297.422 |
5 |
↓
|
|
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
390 |
0.41 |
Binding ≤ 10μM
|
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)
|
4.41 |
-0.01 |
-8.45 |
1 |
4 |
0 |
47 |
299.37 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
2297 |
0.36 |
Binding ≤ 10μM
|
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)
|
6.82 |
9.62 |
-8.25 |
1 |
3 |
0 |
38 |
295.382 |
4 |
↓
|
|
|
Analogs
-
36880181
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
324 |
0.45 |
Binding ≤ 10μM
|
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)
|
6.20 |
-0.28 |
-8.48 |
1 |
3 |
0 |
38 |
269.344 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FAAH1-1-E |
Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
808 |
0.50 |
Binding ≤ 10μM
|
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)
|
5.45 |
6.82 |
-8.86 |
1 |
3 |
0 |
38 |
233.311 |
3 |
↓
|
|