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ZINC Item

Suppliers, Protomers, & Similar Substances

20891481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(2-methylbenzoy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.18	6.88	-15.68	1	5	0	53	369.44	5	↓ MOL2 SDF SMILES Flexibase

20891484

Analogs

20891488
31190778
55624922

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(3-methylbenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(3-methylbenzoy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	6.9	-15.81	1	5	0	53	369.44	5	↓ MOL2 SDF SMILES Flexibase

20891488

Analogs

31190778
20891484

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(3,5-dimethylbenzoyl)pip…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	7.35	-17.55	1	5	0	53	383.467	5	↓ MOL2 SDF SMILES Flexibase

20891493

Analogs

55625823

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(3,4-dimethylbenzoyl)pip…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	7.57	-15.93	1	5	0	53	383.467	5	↓ MOL2 SDF SMILES Flexibase

20891497

Analogs

34934862
12931739

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(4-tert-butylbenzoyl)pip…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	8.58	-15.27	1	5	0	53	411.521	6	↓ MOL2 SDF SMILES Flexibase

20891501

Analogs

181894

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(2-methoxybenzo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	5.89	-19.09	1	6	0	62	385.439	6	↓ MOL2 SDF SMILES Flexibase

20891505

Analogs

55625451
19921043

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(3-methoxybenzo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	5.56	-16.46	1	6	0	62	385.439	6	↓ MOL2 SDF SMILES Flexibase

20891509

Analogs

52001334

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2-ethoxybenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	6.81	-19.14	1	6	0	62	399.466	7	↓ MOL2 SDF SMILES Flexibase

20891513

Analogs

55625338
782990
19567335

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2,3-dimethoxybenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.15	5.93	-21.03	1	7	0	71	415.465	7	↓ MOL2 SDF SMILES Flexibase

20891517

Analogs

25517083
55626196
779530

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(3,5-dimethoxybenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	4.65	-17.5	1	7	0	71	415.465	7	↓ MOL2 SDF SMILES Flexibase

20891520

Analogs

66423519
266631

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(2-fluorobenzoy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.89	6.29	-19.21	1	5	0	53	373.403	5	↓ MOL2 SDF SMILES Flexibase

20891523

Analogs

266661

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(3-fluorobenzoy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.92	6.32	-15.33	1	5	0	53	373.403	5	↓ MOL2 SDF SMILES Flexibase

20891527

Analogs

32482767
45912544

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2-chlorobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	6.71	-17.22	1	5	0	53	389.858	5	↓ MOL2 SDF SMILES Flexibase

20891529

Analogs

34929113
55626380
446929

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(3-chlorobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.43	6.75	-14.96	1	5	0	53	389.858	5	↓ MOL2 SDF SMILES Flexibase

20891533

Analogs

31190641
49718417

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2-bromobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	6.8	-16.89	1	5	0	53	434.309	5	↓ MOL2 SDF SMILES Flexibase

20891536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(3-bromobenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(3-bromobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	6.85	-14.93	1	5	0	53	434.309	5	↓ MOL2 SDF SMILES Flexibase

20891540

Analogs

41397639

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(4-bromobenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(4-bromobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	6.8	-16.42	1	5	0	53	434.309	5	↓ MOL2 SDF SMILES Flexibase

20891543

Analogs

31190750

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(2-iodobenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(2-iodobenzoyl)…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.81	7.26	-15.92	1	5	0	53	481.309	5	↓ MOL2 SDF SMILES Flexibase

20891547

Analogs

20891946
21951677
37038283
3139693
3257416

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2,6-difluorobenzoyl)pip…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	6.49	-19.31	1	5	0	53	391.393	5	↓ MOL2 SDF SMILES Flexibase

20891553

Analogs

25180884
29318887
31946046
4568643

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(3,4-difluorobenzoyl)pip…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.03	6.35	-15.29	1	5	0	53	391.393	5	↓ MOL2 SDF SMILES Flexibase

20891557

Analogs

30976453
31190707
55625308

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2,4-dichlorobenzoyl)pip…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	7.23	-15.56	1	5	0	53	424.303	5	↓ MOL2 SDF SMILES Flexibase

20891560

Analogs

25862203
55624927

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2,5-dichlorobenzoyl)pip…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	7.22	-15.18	1	5	0	53	424.303	5	↓ MOL2 SDF SMILES Flexibase

20891564

Analogs

27462405
29322188

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2-chloro-6-fluoro-benzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2-chloro-6-fluoro-benzo…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	6.88	-18.19	1	5	0	53	407.848	5	↓ MOL2 SDF SMILES Flexibase

20891568

Analogs

55624885

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(5-bromo-2-chloro-benzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(5-bromo-2-chloro-benzoy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	7.33	-15.04	1	5	0	53	468.754	5	↓ MOL2 SDF SMILES Flexibase

20891572

Analogs

55625200

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(5-chloro-2-methoxy-benz…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	6.41	-17.65	1	6	0	62	419.884	6	↓ MOL2 SDF SMILES Flexibase

20891575

Analogs

31190634

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(2-nitrobenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(2-nitrobenzoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	7.73	-24.38	1	8	0	98	400.41	6	↓ MOL2 SDF SMILES Flexibase

20891578

Analogs

41678162
41678164
55624856

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(3-nitrobenzoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.71	6.89	-21.48	1	8	0	98	400.41	6	↓ MOL2 SDF SMILES Flexibase

20891581

Analogs

19773584

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(4-nitrobenzoyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.74	6.89	-17.49	1	8	0	98	400.41	6	↓ MOL2 SDF SMILES Flexibase

20891585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(2-methyl-3-nit…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.09	7.38	-19.45	1	8	0	98	414.437	6	↓ MOL2 SDF SMILES Flexibase

20891589

Analogs

34864699
41678162
41678164

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(4-methyl-3-nit…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	7.41	-17.85	1	8	0	98	414.437	6	↓ MOL2 SDF SMILES Flexibase

20891594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2-chloro-5-nitro-benzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2-chloro-5-nitro-benzoy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	7.39	-16.91	1	8	0	98	434.855	6	↓ MOL2 SDF SMILES Flexibase

20891598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(4-chloro-3-nitro-benzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(4-chloro-3-nitro-benzoy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	7.28	-17.56	1	8	0	98	434.855	6	↓ MOL2 SDF SMILES Flexibase

20891602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-[2-(trifluorome…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	7.16	-18.74	1	5	0	53	423.41	6	↓ MOL2 SDF SMILES Flexibase

20891606

Analogs

20891614
43730725

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-[3-(trifluorome…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	7.17	-17.56	1	5	0	53	423.41	6	↓ MOL2 SDF SMILES Flexibase

20891610

Analogs

34935807

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-[4-(trifluorome…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	7.22	-15.36	1	5	0	53	423.41	6	↓ MOL2 SDF SMILES Flexibase

20891614

Analogs

43730725
20891606

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-[3,5-bis(trifluoromethyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	8.21	-14.61	1	5	0	53	491.407	7	↓ MOL2 SDF SMILES Flexibase

20891781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[4-(dimethylsulfamoyl)benzoyl]piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-[4-(dimethylsulfamoyl)be…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.09	4.32	-20.21	1	8	0	90	462.547	7	↓ MOL2 SDF SMILES Flexibase

20891785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[4-(diethylsulfamoyl)benzoyl]piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-[4-(diethylsulfamoyl)ben…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.84	5.98	-21.03	1	8	0	90	490.601	9	↓ MOL2 SDF SMILES Flexibase

20891888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(2-methylsulfan…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.16	7.22	-18.13	1	5	0	53	401.507	6	↓ MOL2 SDF SMILES Flexibase

20891891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2-ethylsulfanylbenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2-ethylsulfanylbenzoyl)…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.54	8.07	-18.06	1	5	0	53	415.534	7	↓ MOL2 SDF SMILES Flexibase

20891901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[4-[2-[(4-fluorobenzoyl)amino]ethyl]piperazine-1-carbonyl]phenyl] [2-[4-[2-[(4-fluorobenzoyl)amino…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	7.6	-20.9	1	7	0	79	413.449	7	↓ MOL2 SDF SMILES Flexibase

20891939

Analogs

49718420
55624929
849930

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2,6-dimethoxybenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.80	5.13	-21.31	1	7	0	71	415.465	7	↓ MOL2 SDF SMILES Flexibase

20891946

Analogs

21951677
37038283
20891547
3139693
3257416

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(2,4-difluorobenzoyl)pip…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.03	6.36	-17.46	1	5	0	53	391.393	5	↓ MOL2 SDF SMILES Flexibase

20891950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[2-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-[2-(difluoromethylsulfan…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.72	7.43	-18	1	5	0	53	437.487	7	↓ MOL2 SDF SMILES Flexibase

20891954

Analogs

25746623

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[2-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-[2-(difluoromethylsulfon…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.60	5.95	-22.56	1	7	0	87	469.485	7	↓ MOL2 SDF SMILES Flexibase

20891963

Analogs

43730724

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(2,4,6-trimethy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	8.16	-15.96	1	5	0	53	397.494	5	↓ MOL2 SDF SMILES Flexibase

22677582

Analogs

41397637

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[4-(4-methylbenzoyl)piperazin-1-yl]ethyl]benzamide 4-fluoro-N-[2-[4-(4-methylbenzoy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	6.91	-15.88	1	5	0	53	369.44	5	↓ MOL2 SDF SMILES Flexibase

22677585

Analogs

41397661

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-4-fluoro-benzamide N-[2-[4-(4-chlorobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.46	6.69	-16.56	1	5	0	53	389.858	5	↓ MOL2 SDF SMILES Flexibase

66422978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-fluoro-benzamide N-[2-[4-(2-chlorobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	6.71	-19.53	1	5	0	53	389.858	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.36	8.91	-59.16	2	5	1	54	390.866	5	↓ MOL2 SDF SMILES Flexibase

66423121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]ethyl]-2-fluoro-benzamide N-[2-[4-(2,5-dimethylbenzoyl)pip…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	7.52	-19.36	1	5	0	53	383.467	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.56	9.73	-59.04	2	5	1	54	384.475	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 76721 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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