UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: JZL184 JZL184

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABHD6-1-E Monoacylglycerol Lipase ABHD6 (cluster #1 Of 1), Eukaryotic Eukaryotes 3270 0.20 Binding ≤ 10μM
FAAH1-1-E Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic Eukaryotes 4690 0.20 Binding ≤ 10μM
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 6 0.30 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) 4.07 9.64 -19.81 1 11 0 133 520.494 6 ↓

Analogs

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Popular Name: JZL 195 JZL 195

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABHD6-1-E Monoacylglycerol Lipase ABHD6 (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.32 Binding ≤ 10μM
FAAH1-1-E Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic Eukaryotes 13 0.35 Binding ≤ 10μM
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 19 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) 4.54 11.78 -11.64 0 8 0 88 433.464 7 ↓
Mid Mid (pH 6-8) 4.54 14 -56.9 1 8 1 89 434.472 7 ↓

Analogs

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Popular Name: 1-(2-Phenylethyl)-1H-pyrrole-2,5-dione 1-(2-Phenylethyl)-1H-pyrrole-2,5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3A-2-E Glycogen Synthase Kinase-3 Alpha (cluster #2 Of 3), Eukaryotic Eukaryotes 2000 0.53 Binding ≤ 10μM
GSK3B-3-E Glycogen Synthase Kinase-3 Beta (cluster #3 Of 7), Eukaryotic Eukaryotes 2000 0.53 Binding ≤ 10μM
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 7610 0.48 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) 1.59 6.22 -8.37 0 3 0 39 201.225 3 ↓

Analogs

6251342
6251342

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Popular Name: N-Benzylmaleimide N-Benzylmaleimide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3A-2-E Glycogen Synthase Kinase-3 Alpha (cluster #2 Of 3), Eukaryotic Eukaryotes 1000 0.60 Binding ≤ 10μM
GSK3B-3-E Glycogen Synthase Kinase-3 Beta (cluster #3 Of 7), Eukaryotic Eukaryotes 1000 0.60 Binding ≤ 10μM
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 5140 0.53 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) 1.38 5.46 -8.05 0 3 0 39 187.198 2 ↓

Analogs

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Popular Name: Bismaleimide Bismaleimide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2240 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) 2.15 9.63 -18.44 0 6 0 78 358.353 4 ↓

Analogs

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Popular Name: LY2183240 LY2183240

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Clustered Target Annotations
Code Description 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%

Popular Name: 1-(2-Chloro-phenyl)-pyrrole-2,5-dione 1-(2-Chloro-phenyl)-pyrrole-2,5-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 4170 0.54 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) 1.90 5.78 -11.74 0 3 0 39 207.616 1 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-1H-pyrrole-2,5-dione 1-(4-chlorophenyl)-1H-pyrrole-2,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 7240 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) 1.74 5.37 -8.09 0 3 0 39 207.616 1 ↓

Analogs

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Popular Name: 1-(3-iodophenyl)-1H-pyrrole-2,5-dione 1-(3-iodophenyl)-1H-pyrrole-2,5-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2240 0.56 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) 2.33 0.5 -8.9 0 3 0 39 299.067 1 ↓

Analogs

6665364
6665364

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Popular Name: 1-(2-methoxyphenyl)-1h-pyrrole-2,5-dione 1-(2-methoxyphenyl)-1h-pyrrole-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 6920 0.48 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) 1.28 4.4 -13.68 0 4 0 48 203.197 2 ↓

Analogs

36683010
36683010

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Popular Name: 1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione 1-(3-methoxyphenyl)-2,5-dihydro-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 6600 0.48 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) 1.31 4.15 -11.78 0 4 0 48 203.197 2 ↓

Analogs

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Popular Name: N-(4-Bromophenyl)maleimide N-(4-Bromophenyl)maleimide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 4370 0.54 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) 1.87 0.57 -8.06 0 3 0 39 252.067 1 ↓

Analogs

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Popular Name: 1-(2-iodophenyl)-3-pyrroline-2,5-quinone 1-(2-iodophenyl)-3-pyrroline-2,5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 5010 0.53 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) 2.31 1.1 -10.82 0 3 0 39 299.067 1 ↓

Analogs

41654786
41654786

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Popular Name: 1-(3-METHYLPHENYL)-1H-PYRROLE-2,5-DIONE 1-(3-METHYLPHENYL)-1H-PYRROLE-2,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2750 0.56 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) 1.70 5.52 -9.82 0 3 0 39 187.198 1 ↓

Analogs

2511871
2511871

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Popular Name: 1,6-Bismaleimidohexane 1,6-Bismaleimidohexane

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 1700 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) 0.81 5.83 -14.76 0 6 0 78 276.292 7 ↓

Analogs

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Popular Name: 1-(2-phenylphenyl)pyrrole-2,5-dione 1-(2-phenylphenyl)pyrrole-2,5-dione

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 1550 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) 3.02 2.3 -12.6 0 3 0 39 249.269 2 ↓

Analogs

1591996
1591996

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Popular Name: DNC009972 DNC009972

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-7-E Anandamide Amidohydrolase (cluster #7 Of 7), Eukaryotic Eukaryotes 5890 0.39 Binding ≤ 10μM
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 1620 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) 2.86 1.87 -10.34 0 3 0 39 249.269 2 ↓

Analogs

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Popular Name: 1-(3-phenylphenyl)-3-pyrroline-2,5-quinone 1-(3-phenylphenyl)-3-pyrroline-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2340 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) 3.04 8.27 -11.14 0 3 0 39 249.269 2 ↓

Analogs

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Popular Name: 1-(4-Methoxyphenyl)-1H-pyrrole-2,5-dione 1-(4-Methoxyphenyl)-1H-pyrrole-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 5750 0.49 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) 1.12 4.14 -9.86 0 4 0 48 203.197 2 ↓

Analogs

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Popular Name: 1-(3-ethylphenyl)pyrrole-2,5-dione 1-(3-ethylphenyl)pyrrole-2,5-dione

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 4680 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) 2.16 6.27 -10.39 0 3 0 39 201.225 2 ↓

Analogs

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Popular Name: 1-(4-propylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione 1-(4-propylphenyl)-2,5-dihydro-1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 5890 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) 2.37 1.93 -9.11 0 3 0 39 215.252 3 ↓

Analogs

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Popular Name: 1-(2-isopropylphenyl)pyrrole-2,5-dione 1-(2-isopropylphenyl)pyrrole-2,5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 7860 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) 2.26 7.42 -11.87 0 3 0 39 215.252 2 ↓

Analogs

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Popular Name: CAY10499 CAY10499

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-1-E Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic Eukaryotes 78 0.38 Binding ≤ 10μM
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 20 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) 2.75 -0.8 -11.72 1 8 0 95 355.35 6 ↓

Analogs

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Popular Name: N,N'-1,3-PhenylenediMaleiMide N,N'-1,3-PhenylenediMaleiMide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2030 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) 0.58 1.45 -17.91 0 6 0 78 268.228 2 ↓

Analogs

34427790
34427790

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Popular Name: 1-(2-Ethylphenyl)-1H-pyrrole-2,5-dione 1-(2-Ethylphenyl)-1H-pyrrole-2,5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2000 0.53 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) 2.14 2.23 -10.79 0 3 0 39 201.225 2 ↓

Analogs

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Popular Name: N-(3-Fluoro-phenyl)maleimide N-(3-Fluoro-phenyl)maleimide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2390 0.56 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) 1.41 4.92 -9.89 0 3 0 39 191.161 1 ↓

Analogs

2169111
2169111

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Popular Name: N,N'-1,4-PHENYLENEDIMALEIMIDE N,N'-1,4-PHENYLENEDIMALEIMIDE

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2220 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) 0.18 1.45 -15.84 0 6 0 78 268.228 2 ↓

Analogs

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Popular Name: 1-(4-Isopropylphenyl)-1H-pyrrole-2,5-dione 1-(4-Isopropylphenyl)-1H-pyrrole…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2880 0.48 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) 2.57 2.13 -9.11 0 3 0 39 215.252 2 ↓

Analogs

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Popular Name: 1-(4-Ethylphenyl)-1H-pyrrole-2,5-dione 1-(4-Ethylphenyl)-1H-pyrrole-2,5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2820 0.52 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) 1.98 6.3 -9.31 0 3 0 39 201.225 2 ↓

Analogs

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Popular Name: 1-o-Tolyl-pyrrole-2,5-dione 1-o-Tolyl-pyrrole-2,5-dione

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2690 0.56 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) 1.67 6.03 -11.26 0 3 0 39 187.198 1 ↓

Analogs

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Popular Name: 1-(3-Chloro-phenyl)-pyrrole-2,5-dione 1-(3-Chloro-phenyl)-pyrrole-2,5-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2820 0.55 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) 1.93 5.37 -9.27 0 3 0 39 207.616 1 ↓

Analogs

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Popular Name: 1-(2-bromophenyl)-1H-pyrrole-2,5-dione 1-(2-bromophenyl)-1H-pyrrole-2,5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 2920 0.55 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) 2.03 1.09 -11.61 0 3 0 39 252.067 1 ↓

Analogs

36752490
36752490

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Popular Name: 1-(2-Fluorophenyl)-1H-pyrrole-2,5-dione 1-(2-Fluorophenyl)-1H-pyrrole-2,…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 4470 0.53 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) 1.39 5.1 -13.15 0 3 0 39 191.161 1 ↓

Analogs

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Popular Name: 1-(4-iodophenyl)-1H-pyrrole-2,5-dione 1-(4-iodophenyl)-1H-pyrrole-2,5-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 4340 0.54 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) 2.14 0.49 -7.93 0 3 0 39 299.067 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-FLUORO-PHENYL)-PYRROLE-2,5-DIONE 1-(4-FLUORO-PHENYL)-PYRROLE-2,5-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 5180 0.53 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) 1.22 4.91 -8.33 0 3 0 39 191.161 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-bromophenyl)-1h-pyrrole-2,5-dione 1-(3-bromophenyl)-1h-pyrrole-2,5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 4270 0.54 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) 2.06 0.57 -9.2 0 3 0 39 252.067 1 ↓

Analogs

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Popular Name: Cyclohexyl [1,1'-biphenyl]-3-ylcarbamate Cyclohexyl [1,1'-biphenyl]-3-ylc…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-1-E Anandamide Amidohydrolase (cluster #1 Of 7), Eukaryotic Eukaryotes 5754 0.33 Binding ≤ 10μM
MGLL-2-E Monoglyceride Lipase (cluster #2 Of 7), Eukaryotic Eukaryotes 10000 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) 5.32 9.69 -7.11 1 3 0 38 295.382 4 ↓

Parameters Provided:

target.name = MGLL-2-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'MGLL-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=MGLL-2-E&target.type=B10&filter.purchasability=purchasable

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