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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-bromobenzoyl)piperazin-1-yl]-(m-tolyl)methanone [4-(4-bromobenzoyl)piperazin-1-y…

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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) 2.59 9.24 -12.92 0 4 0 41 387.277 2 ↓

Analogs

12855950
12855950
13007006
13007006
4833166
4833166

Draw Identity 99% 90% 80% 70%

Popular Name: (4-benzoylpiperazin-1-yl)-(4-tert-butylphenyl)methanone (4-benzoylpiperazin-1-yl)-(4-ter…

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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 10.31 -13.31 0 4 0 41 350.462 3 ↓

Analogs

469387
469387

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-chlorobenzoyl)piperazin-1-yl]-phenyl-methanone [4-(2-chlorobenzoyl)piperazin-1-…

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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) 1.99 -0.22 -14.38 0 4 0 41 328.799 2 ↓

Analogs

19773592
19773592
30896018
30896018

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-methoxybenzoyl)piperazin-1-yl]-(p-tolyl)methanone [4-(3-methoxybenzoyl)piperazin-1…

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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) 1.84 7.95 -16.14 0 5 0 50 338.407 3 ↓

Analogs

25732722
25732722
36390910
36390910
56909848
56909848
58314219
58314219
6330927
6330927

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-methoxybenzoyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone [4-(4-methoxybenzoyl)piperazin-1…

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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) 2.17 9.21 -15.9 0 8 0 78 456.539 9 ↓

Analogs

18840911
18840911

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(4-isopropylphenyl)methanone [4-(3,5-dimethoxybenzoyl)piperaz…

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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 8.48 -14.65 0 6 0 59 396.487 5 ↓

Analogs

25516940
25516940

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-chlorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone [4-(2-chlorobenzoyl)piperazin-1-…

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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) 2.02 7.83 -17.14 0 5 0 50 358.825 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile 3-[4-(3-methoxybenzoyl)piperazin…

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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 7.64 -21.26 0 6 0 74 349.39 3 ↓

Analogs

23791000
23791000

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-chlorobenzoyl)piperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone [4-(4-chlorobenzoyl)piperazin-1-…

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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) 2.53 8.94 -15.99 0 8 0 96 403.822 4 ↓

Analogs

28237084
28237084
33023696
33023696
318334
318334

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(5-chloro-2-methoxy-benzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone [4-(5-chloro-2-methoxy-benzoyl)p…

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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 9.66 -14.38 0 5 0 50 386.879 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N,N-dimethyl-benzenesulfonamide 4-chloro-3-[4-(4-ethylbenzoyl)pi…

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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) 2.19 7.95 -16.01 0 7 0 78 463.987 5 ↓

Analogs

36062980
36062980
36674829
36674829
6608893
6608893
15742111
15742111
5937401
5937401

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-chloro-4-ethoxy-5-methoxy-benzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone [4-(3-chloro-4-ethoxy-5-methoxy-…

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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) 3.10 10.29 -13.21 0 6 0 59 430.932 6 ↓

Analogs

32244038
32244038
36684285
36684285
23805002
23805002
3304608
3304608

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-bromo-4-ethoxy-5-methoxy-benzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone [4-(3-bromo-4-ethoxy-5-methoxy-b…

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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) 3.23 10.42 -13.07 0 6 0 59 475.383 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3,5-difluorobenzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone [4-(3,5-difluorobenzoyl)piperazi…

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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) 2.53 9.6 -11.62 0 4 0 41 358.388 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[4-(2-hydroxy-5-methyl-benzoyl)piperazin-1-yl]methanone (4-ethylphenyl)-[4-(2-hydroxy-5-…

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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) 3.19 7.64 -17.75 1 5 0 61 352.434 3 ↓
Hi High (pH 8-9.5) 3.19 8.48 -55.54 0 5 -1 64 351.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]methanone (4-ethylphenyl)-[4-(3-methylsulf…

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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 6.93 -21.84 0 6 0 75 400.5 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-bromobenzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone [4-(2-bromobenzoyl)piperazin-1-y…

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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) 3.03 10.12 -14.04 0 4 0 41 401.304 3 ↓

Analogs

32764657
32764657
4165385
4165385
19313944
19313944

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-bromobenzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone [4-(4-bromobenzoyl)piperazin-1-y…

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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 10.04 -12.38 0 4 0 41 401.304 3 ↓

Analogs

13010223
13010223

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-hydroxybenzoyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone [4-(3-hydroxybenzoyl)piperazin-1…

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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 7.03 -17.62 1 8 0 89 442.512 8 ↓

Analogs

4819906
4819906
21019556
21019556
34870333
34870333
41678102
41678102

Draw Identity 99% 90% 80% 70%

Popular Name: piperazine, 1,4-bis(4-chloro-3-nitrobenzoyl)- piperazine, 1,4-bis(4-chloro-3-n…

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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) 2.49 0.57 -26.75 0 10 0 132 453.238 4 ↓

Analogs

21952299
21952299
26070786
26070786
26261816
26261816
32753842
32753842
32873672
32873672

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-chloro-2-fluoro-benzoyl)piperazin-1-yl]-phenyl-methanone [4-(4-chloro-2-fluoro-benzoyl)pi…

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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) 2.13 8.71 -14.41 0 4 0 41 346.789 2 ↓

Analogs

5720437
5720437
6046599
6046599
19553147
19553147
34185408
34185408
2578522
2578522

Draw Identity 99% 90% 80% 70%

Popular Name: (4-benzoylpiperazino)-(4-methoxyphenyl)methanone (4-benzoylpiperazino)-(4-methoxy…

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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 -0.1 -14.75 0 5 0 49 324.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Piperazinecarboxylic acid, 1,4-bis(3,4,5-trimethoxybenzoyl)-, ethyl ester; Ethyl 1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinecarboxylate; LS-110830; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-ethoxycarbonylpiperazine 2-Piperazinecarboxylic acid, 1,4…

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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 8.88 -22.35 0 12 0 122 546.573 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Piperazinecarboxylic acid, 1,4-bis(3,4,5-trimethoxybenzoyl)-, hexyl ester; Hexyl 1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinecarboxylate; LS-110831; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-n-hexyloxycarbonyl piperazine 2-Piperazinecarboxylic acid, 1,4…

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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 12.13 -18.71 0 12 0 122 602.681 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Bis(3,4,5-trimethoxybenzoyl)-N-hexyl-2-piperazinecarboxamide; 2-Piperazinecarboxamide, 1,4-bis(3,4,5-trimethoxybenzoyl)-N-hexyl-; LS-110654; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-(N-m-hexyl)amidopiperazine 1,4-Bis(3,4,5-trimethoxybenzoyl)…

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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 9.54 -20.69 1 12 0 125 601.697 14 ↓

Analogs

3914859
3914859

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl 2-ethylbutanoate; Butanoic acid, 2-ethyl-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-46283; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-(2'-ethyl)butanoyloxymethylpiperazine (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 90 0.23 Binding ≤ 10μM
PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 70 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 220 0.22 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 220 0.22 Binding ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 40 0.24 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) 2.60 11.05 -22.86 0 12 0 122 602.681 14 ↓

Analogs

3914861
3914861

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl 2,2-dimethylpropanoate; LS-121402; N,N'-Bis(3,4,5-trimethoxylbenzoyl)-2-piperizinylmethyl 2,2-dimethylpropanoate; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-tert-butylcarbonyloxymethylpiperazine; Propanoi (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 420 0.21 Binding ≤ 10μM
PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 120 0.23 Functional ≤ 10μM
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 100 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 300 0.22 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 300 0.22 Binding ≤ 10μM
Z50592 Z50592 Oryctolagus Cuniculus 100 0.23 Functional ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 100 0.23 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) 2.17 10.28 -20.68 0 12 0 122 588.654 12 ↓

Analogs

14243288
14243288
25962869
25962869
25962873
25962873
3935342
3935342

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate; LS-97952; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-n-octanoyloxymethylpiperazine; Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 310 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 310 0.20 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) 3.62 13.26 -20.68 0 12 0 122 630.735 17 ↓

Analogs

25962869
25962869
25962873
25962873
3935342
3935342
14243287
14243287

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate; LS-97952; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-n-octanoyloxymethylpiperazine; Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 310 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 310 0.20 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) 3.62 12.95 -20.61 0 12 0 122 630.735 17 ↓

Analogs

3914863
3914863

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl butylcarbamate; Carbamic acid, butyl-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-49075; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N"-(n-butyl)-carbamoyloxymethylpiperazine (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 700 0.20 Binding ≤ 10μM
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 240 0.22 Functional ≤ 10μM
Z102256-1-O Plasma (cluster #1 Of 1), Other Other 670 0.20 Functional ≤ 10μM
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 10000 0.16 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 700 0.20 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 700 0.20 Binding ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 10000 0.16 Functional ≤ 10μM
Z102256 Z102256 Plasma 670 0.20 Functional ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 240 0.22 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) 1.90 7.56 -21.4 1 13 0 134 603.669 14 ↓

Analogs

3914864
3914864

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinemethanol acetate (ester); 2-Piperazinemethanol, 1,4-bis(3,4,5-trimethoxybenzoyl)-, acetate (ester); LS-112740; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-acetyloxymethylpiperazine 1,4-Bis(3,4,5-trimethoxybenzoyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 400 0.23 Binding ≤ 10μM
PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 430 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 400 0.23 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 400 0.23 Binding ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 430 0.23 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) 0.68 8.3 -21.31 0 12 0 122 546.573 11 ↓

Analogs

3914865
3914865

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl 3,3-dimethylbutanoate; Butanoic acid, 3,3-dimethyl-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-46261; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-tert-butyl acetyloxymethylpiperazine (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 120 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 120 0.23 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) 2.13 10.76 -19.62 0 12 0 122 602.681 13 ↓

Analogs

14243294
14243294
14243295
14243295
14243296
14243296
3914868
3914868

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl (1-ethylpropyl)carbamate; Carbamic acid, (1-ethylpropyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-49771; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(1'-ethyl)propylcarbamoylo (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 130 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 130 0.22 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) 4.01 8.44 -20.76 1 13 0 134 617.696 14 ↓

Analogs

3914867
3914867

Draw Identity 99% 90% 80% 70%

Popular Name: Carbamic acid, (1,1-dimethylethyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-49556; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-tert-butylcarbamoyloxymethylpiperazine Carbamic acid, (1,1-dimethylethy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 130 0.22 Functional ≤ 10μM
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 130 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50592 Z50592 Oryctolagus Cuniculus 130 0.22 Functional ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 130 0.22 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) 1.65 7.46 -24.33 1 13 0 134 603.669 12 ↓

Analogs

14243295
14243295
14243296
14243296
3914868
3914868

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl (1-methylbutyl)carbamate; Carbamic acid, (1-methylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-50071; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(1'-methyl)butylcarbamoylo (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 100 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 100 0.22 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) 4.03 8.97 -21.21 1 13 0 134 617.696 14 ↓

Analogs

14243296
14243296
3914868
3914868

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl (1-methylbutyl)carbamate; Carbamic acid, (1-methylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-50071; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(1'-methyl)butylcarbamoylo (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 100 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 100 0.22 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) 4.03 8.67 -21.38 1 13 0 134 617.696 14 ↓

Analogs

3914868
3914868

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl (1-methylbutyl)carbamate; Carbamic acid, (1-methylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-50071; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(1'-methyl)butylcarbamoylo (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 100 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 100 0.22 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) 4.03 8.67 -21.28 1 13 0 134 617.696 14 ↓

Analogs

14243298
14243298
14243299
14243299
25962844
25962844
25962849
25962849
25962854
25962854

Draw Identity 99% 90% 80% 70%

Popular Name: LS-50694 LS-50694

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 170 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 170 0.21 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) 4.30 8.95 -21.04 1 13 0 134 631.723 13 ↓

Analogs

14243299
14243299
25962844
25962844
25962849
25962849
25962854
25962854
25962859
25962859

Draw Identity 99% 90% 80% 70%

Popular Name: LS-50694 LS-50694

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 170 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 170 0.21 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) 4.30 9.25 -20.98 1 13 0 134 631.723 13 ↓

Analogs

3914869
3914869

Draw Identity 99% 90% 80% 70%

Popular Name: LS-50694 LS-50694

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 170 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 170 0.21 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) 4.30 9.19 -24.46 1 13 0 134 631.723 13 ↓

Analogs

3914870
3914870

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl (3-methylbutyl)carbamate; Carbamic acid, (3-methylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-50073; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(3'-methyl)butylcarbamoylo (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 140 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 140 0.22 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) 2.12 8.31 -24.59 1 13 0 134 617.696 14 ↓

Analogs

14243302
14243302
14243303
14243303
3914871
3914871

Draw Identity 99% 90% 80% 70%

Popular Name: Carbamic acid, (1,3-dimethylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-49450; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(1',3'-dimethyl)butylcarbamoyloxymethylpiperazine Carbamic acid, (1,3-dimethylbuty…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 180 0.21 Binding ≤ 10μM
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 280 0.20 Functional ≤ 10μM
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 280 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 180 0.21 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 180 0.21 Binding ≤ 10μM
Z50592 Z50592 Oryctolagus Cuniculus 280 0.20 Functional ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 280 0.20 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) 4.25 9.37 -21.33 1 13 0 134 631.723 14 ↓

Analogs

14243303
14243303
3914871
3914871

Draw Identity 99% 90% 80% 70%

Popular Name: Carbamic acid, (1,3-dimethylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-49450; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(1',3'-dimethyl)butylcarbamoyloxymethylpiperazine Carbamic acid, (1,3-dimethylbuty…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 180 0.21 Binding ≤ 10μM
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 280 0.20 Functional ≤ 10μM
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 280 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 180 0.21 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 180 0.21 Binding ≤ 10μM
Z50592 Z50592 Oryctolagus Cuniculus 280 0.20 Functional ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 280 0.20 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) 4.25 9.5 -22.12 1 13 0 134 631.723 14 ↓

Analogs

3914871
3914871

Draw Identity 99% 90% 80% 70%

Popular Name: Carbamic acid, (1,3-dimethylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-49450; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(1',3'-dimethyl)butylcarbamoyloxymethylpiperazine Carbamic acid, (1,3-dimethylbuty…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 180 0.21 Binding ≤ 10μM
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 280 0.20 Functional ≤ 10μM
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 280 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 180 0.21 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 180 0.21 Binding ≤ 10μM
Z50592 Z50592 Oryctolagus Cuniculus 280 0.20 Functional ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 280 0.20 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) 4.25 9.44 -21.4 1 13 0 134 631.723 14 ↓

Analogs

14243305
14243305
14243306
14243306
3914872
3914872

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl (2-methylbutyl)carbamate; Carbamic acid, (2-methylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-50072; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(2'-methyl)butylcarbamoylo (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 470 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 470 0.20 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) 2.09 8.52 -21.04 1 13 0 134 617.696 14 ↓

Analogs

14243306
14243306
3914872
3914872

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl (2-methylbutyl)carbamate; Carbamic acid, (2-methylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-50072; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(2'-methyl)butylcarbamoylo (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 470 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 470 0.20 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) 2.09 8.22 -21.19 1 13 0 134 617.696 14 ↓

Analogs

3914872
3914872

Draw Identity 99% 90% 80% 70%

Popular Name: (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl (2-methylbutyl)carbamate; Carbamic acid, (2-methylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester; LS-50072; N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(2'-methyl)butylcarbamoylo (1,4-Bis(3,4,5-trimethoxybenzoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 470 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 470 0.20 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) 2.09 8.47 -24.39 1 13 0 134 617.696 14 ↓

Analogs

53152251
53152251

Draw Identity 99% 90% 80% 70%

Popular Name: LS-107638 LS-107638

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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) 4.57 12.28 -18.13 0 10 0 96 586.726 15 ↓

Analogs

53152251
53152251

Draw Identity 99% 90% 80% 70%

Popular Name: LS-107638 LS-107638

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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) 4.57 11.96 -18.66 0 10 0 96 586.726 15 ↓

Analogs

53152251
53152251

Draw Identity 99% 90% 80% 70%

Popular Name: LS-107640 LS-107640

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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 9.74 -18.89 0 10 0 96 544.645 12 ↓

Parameters Provided:

ring.id = 38180
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 38180 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=38180&filter.purchasability=annotated

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