ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

22697779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-chloro-6-methoxy-4-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazine-1-carbonyl]phenoxy]acetamide 2-[2-chloro-6-methoxy-4-[4-[2-ox…

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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)	0.24	6.44	-60.24	3	9	1	107	453.947	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.24	4.22	-21.29	2	9	0	105	452.939	7	↓ MOL2 SDF SMILES Flexibase

56851617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-benzoylpiperazin-1-yl)-1-[(2S,6R)-2,6-dimethyl-1-piperidyl]propan-1-one (2R)-2-(4-benzoylpiperazin-1-yl)…

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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)	2.04	7.35	-10.94	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

56851619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-benzoylpiperazin-1-yl)-1-[(2S,6S)-2,6-dimethyl-1-piperidyl]propan-1-one (2R)-2-(4-benzoylpiperazin-1-yl)…

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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)	2.04	8	-12.69	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

56851620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-benzoylpiperazin-1-yl)-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]propan-1-one (2R)-2-(4-benzoylpiperazin-1-yl)…

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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)	2.04	7.54	-10.12	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

58331677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(5-ethyl-2-hydroxy-benzoyl)piperazin-1-yl]-1-(1-piperidyl)ethanone 2-[4-(5-ethyl-2-hydroxy-benzoyl)…

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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	5.39	-14.16	1	6	0	64	359.47	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.43	6.22	-58.65	0	6	-1	67	358.462	4	↓ MOL2 SDF SMILES Flexibase

58351543

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(4-chlorobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	8.14	-10.2	0	5	0	44	377.916	3	↓ MOL2 SDF SMILES Flexibase

58351546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(4-chlorobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	8.39	-10.43	0	5	0	44	377.916	3	↓ MOL2 SDF SMILES Flexibase

58351549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(4-chlorobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	8.38	-12.36	0	5	0	44	377.916	3	↓ MOL2 SDF SMILES Flexibase

58351553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone 1-[(3S,5R)-3,5-dimethyl-1-piperi…

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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)	2.33	7.25	-16.77	0	6	0	53	373.497	4	↓ MOL2 SDF SMILES Flexibase

58351556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone 1-[(3S,5S)-3,5-dimethyl-1-piperi…

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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)	2.33	7.49	-16.97	0	6	0	53	373.497	4	↓ MOL2 SDF SMILES Flexibase

58351559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone 1-[(3R,5R)-3,5-dimethyl-1-piperi…

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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)	2.33	7.49	-14.25	0	6	0	53	373.497	4	↓ MOL2 SDF SMILES Flexibase

58351572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(4-tert-butylbenzoyl)pipera…

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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	9.94	-13.18	0	5	0	44	399.579	4	↓ MOL2 SDF SMILES Flexibase

58351575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(4-tert-butylbenzoyl)pipera…

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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	10.19	-10.94	0	5	0	44	399.579	4	↓ MOL2 SDF SMILES Flexibase

58351579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(4-tert-butylbenzoyl)pipera…

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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	10.19	-13.06	0	5	0	44	399.579	4	↓ MOL2 SDF SMILES Flexibase

58351582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone 1-[(3S,5R)-3,5-dimethyl-1-piperi…

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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	6.93	-13.94	0	6	0	53	373.497	4	↓ MOL2 SDF SMILES Flexibase

58351585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone 1-[(3S,5S)-3,5-dimethyl-1-piperi…

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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	7.17	-12.04	0	6	0	53	373.497	4	↓ MOL2 SDF SMILES Flexibase

58351587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone 1-[(3R,5R)-3,5-dimethyl-1-piperi…

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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	7.17	-13.75	0	6	0	53	373.497	4	↓ MOL2 SDF SMILES Flexibase

58351589

Analogs

25366338
25366342
25366346
25366350

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3-chlorobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.42	8.13	-11.35	0	5	0	44	377.916	3	↓ MOL2 SDF SMILES Flexibase

58351593

Analogs

25366338
25366342
25366346
25366350

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3-chlorobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.42	8.38	-11.64	0	5	0	44	377.916	3	↓ MOL2 SDF SMILES Flexibase

58351596

Analogs

25366338
25366342
25366346
25366350

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3-chlorobenzoyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.42	8.37	-14.08	0	5	0	44	377.916	3	↓ MOL2 SDF SMILES Flexibase

58351599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone 1-[(3S,5R)-3,5-dimethyl-1-piperi…

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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)	2.22	8.26	-13.76	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

58351601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone 1-[(3S,5S)-3,5-dimethyl-1-piperi…

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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)	2.22	8.56	-13.81	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

58351606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone 1-[(3R,5R)-3,5-dimethyl-1-piperi…

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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)	2.22	8.56	-13.45	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

58351646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone 1-[(3S,5R)-3,5-dimethyl-1-piperi…

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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)	2.17	8.21	-13.36	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

58351649

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone 1-[(3S,5S)-3,5-dimethyl-1-piperi…

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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)	2.17	8.45	-13.61	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

58351652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone 1-[(3R,5R)-3,5-dimethyl-1-piperi…

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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)	2.17	8.46	-13.22	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

58351664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-[4-(dimethylamino)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	7.98	-14.74	0	6	0	47	386.54	4	↓ MOL2 SDF SMILES Flexibase

58351666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-[4-(dimethylamino)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	8.22	-12.49	0	6	0	47	386.54	4	↓ MOL2 SDF SMILES Flexibase

58351668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-[4-(dimethylamino)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	8.22	-14.52	0	6	0	47	386.54	4	↓ MOL2 SDF SMILES Flexibase

58351672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3,5-dimethylbenzoyl)pipera…

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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	8.93	-11.27	0	5	0	44	371.525	3	↓ MOL2 SDF SMILES Flexibase

58351675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3,5-dimethylbenzoyl)pipera…

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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	9.17	-11.45	0	5	0	44	371.525	3	↓ MOL2 SDF SMILES Flexibase

58351676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3,5-dimethylbenzoyl)pipera…

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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	9.18	-11.1	0	5	0	44	371.525	3	↓ MOL2 SDF SMILES Flexibase

58351679

Analogs

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Popular Name: 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(2,4-dimethylbenzoyl)pipera…

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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	8.87	-13.14	0	5	0	44	371.525	3	↓ MOL2 SDF SMILES Flexibase

58351682

Analogs

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Popular Name: 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(2,4-dimethylbenzoyl)pipera…

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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	9.12	-13.41	0	5	0	44	371.525	3	↓ MOL2 SDF SMILES Flexibase

58351684

Analogs

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Popular Name: 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(2,4-dimethylbenzoyl)pipera…

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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	9.18	-12.65	0	5	0	44	371.525	3	↓ MOL2 SDF SMILES Flexibase

58351695

Analogs

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Popular Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone 1-[(3S,5R)-3,5-dimethyl-1-piperi…

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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	8.25	-13.66	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

58351697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone 1-[(3S,5S)-3,5-dimethyl-1-piperi…

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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	8.51	-11.39	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

58351699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone 1-[(3R,5R)-3,5-dimethyl-1-piperi…

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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	8.49	-13.46	0	5	0	44	357.498	3	↓ MOL2 SDF SMILES Flexibase

58351702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3,4-dimethylbenzoyl)pipera…

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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	8.86	-13.91	0	5	0	44	371.525	3	↓ MOL2 SDF SMILES Flexibase

58351706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3,4-dimethylbenzoyl)pipera…

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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	9.1	-14.06	0	5	0	44	371.525	3	↓ MOL2 SDF SMILES Flexibase

58351708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3,4-dimethylbenzoyl)pipera…

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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	9.11	-13.67	0	5	0	44	371.525	3	↓ MOL2 SDF SMILES Flexibase

58351711

Analogs

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Popular Name: 2-[4-(2-chloro-4-fluoro-benzoyl)piperazin-1-yl]-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(2-chloro-4-fluoro-benzoyl)…

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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	8.21	-13.1	0	5	0	44	395.906	3	↓ MOL2 SDF SMILES Flexibase

58351716

Analogs

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Popular Name: 2-[4-(2-chloro-4-fluoro-benzoyl)piperazin-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(2-chloro-4-fluoro-benzoyl)…

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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	8.45	-13.29	0	5	0	44	395.906	3	↓ MOL2 SDF SMILES Flexibase

58351719

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-chloro-4-fluoro-benzoyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(2-chloro-4-fluoro-benzoyl)…

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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	8.45	-10.55	0	5	0	44	395.906	3	↓ MOL2 SDF SMILES Flexibase

58351749

Analogs

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Popular Name: 3-[4-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]piperazine-1-carbonyl]benzonitrile 3-[4-[2-[(3S,5R)-3,5-dimethyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	8.01	-17.7	0	6	0	68	368.481	3	↓ MOL2 SDF SMILES Flexibase

58351752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]piperazine-1-carbonyl]benzonitrile 3-[4-[2-[(3S,5S)-3,5-dimethyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	8.25	-14.34	0	6	0	68	368.481	3	↓ MOL2 SDF SMILES Flexibase

58351754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]piperazine-1-carbonyl]benzonitrile 3-[4-[2-[(3R,5R)-3,5-dimethyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.50	8.24	-17.54	0	6	0	68	368.481	3	↓ MOL2 SDF SMILES Flexibase

58351765

Analogs

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Popular Name: 2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-1-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3,5-difluorobenzoyl)pipera…

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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	7.76	-11.62	0	5	0	44	379.451	3	↓ MOL2 SDF SMILES Flexibase

58351769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-1-[(3S,5S)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3,5-difluorobenzoyl)pipera…

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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	8	-9.85	0	5	0	44	379.451	3	↓ MOL2 SDF SMILES Flexibase

58351772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(3,5-difluorobenzoyl)pipera…

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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	8	-11.4	0	5	0	44	379.451	3	↓ MOL2 SDF SMILES Flexibase

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