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ZINC Item

Suppliers, Protomers, & Similar Substances

71531908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-chloro-2-methyl-phenyl)piperazin-2-one 1-(5-chloro-2-methyl-phenyl)pipe…

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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	4.14	-8.22	1	3	0	32	224.691	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.71	5.53	-54.33	2	3	1	37	225.699	1	↓ MOL2 SDF SMILES Flexibase

71536327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-tert-butylphenyl)piperazin-2-one 1-(4-tert-butylphenyl)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)	2.36	4.88	-7.93	1	3	0	32	232.327	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.36	6.26	-51.61	2	3	1	37	233.335	2	↓ MOL2 SDF SMILES Flexibase

71547058

Analogs

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Popular Name: 1-(2,5-dimethoxyphenyl)piperazin-2-one 1-(2,5-dimethoxyphenyl)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)	0.70	1.29	-11.46	1	5	0	51	236.271	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.70	2.68	-52.52	2	5	1	55	237.279	3	↓ MOL2 SDF SMILES Flexibase

71547059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dimethoxyphenyl)piperazin-2-one 1-(2,4-dimethoxyphenyl)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)	0.70	1.3	-10.84	1	5	0	51	236.271	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.70	2.69	-53.19	2	5	1	55	237.279	3	↓ MOL2 SDF SMILES Flexibase

71547060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)piperazin-2-one 1-(3,4-dimethoxyphenyl)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)	0.30	1.76	-11.51	1	5	0	51	236.271	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.30	3.14	-57.67	2	5	1	55	237.279	3	↓ MOL2 SDF SMILES Flexibase

71558715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(trifluoromethyl)phenyl]piperazin-2-one 1-[3-(trifluoromethyl)phenyl]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)	1.53	3.58	-8.64	1	3	0	32	244.216	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.53	4.95	-54.67	2	3	1	37	245.224	2	↓ MOL2 SDF SMILES Flexibase

71558717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(trifluoromethyl)phenyl]piperazin-2-one 1-[4-(trifluoromethyl)phenyl]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)	1.55	3.56	-7.91	1	3	0	32	244.216	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.55	4.94	-55.36	2	3	1	37	245.224	2	↓ MOL2 SDF SMILES Flexibase

11815971

Analogs

11815973

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3S)-4-(3-methoxyphenyl)-3-methyl-5-oxo-piperazine-1-carbonyl]-3-methylsulfanyl-propyl]ac N-[(1S)-1-[(3S)-4-(3-methoxyphen…

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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)	0.87	-0.91	-20.11	1	7	0	79	393.509	7	↓ MOL2 SDF SMILES Flexibase

11815973

Analogs

11815971

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3R)-4-(3-methoxyphenyl)-3-methyl-5-oxo-piperazine-1-carbonyl]-3-methylsulfanyl-propyl]ac N-[(1S)-1-[(3R)-4-(3-methoxyphen…

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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)	0.87	-0.4	-20.09	1	7	0	79	393.509	7	↓ MOL2 SDF SMILES Flexibase

20362888

Analogs

12570517

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-4,6-dimethyl-1-(2-methylsulfanylphenyl)piperazin-2-one (6S)-4,6-dimethyl-1-(2-methylsul…

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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)	1.97	7.8	-46.13	1	3	1	25	251.375	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.97	5.33	-9.15	0	3	0	24	250.367	2	↓ MOL2 SDF SMILES Flexibase

12034317

Analogs

12034319

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-4-isopentyl-1-(3-methoxyphenyl)-6-methyl-piperazin-2-one (6S)-4-isopentyl-1-(3-methoxyphe…

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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)	3.27	1.84	-48.92	1	4	1	34	291.415	5	↓ MOL2 SDF SMILES Flexibase

12034319

Analogs

12034317

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-4-isopentyl-1-(3-methoxyphenyl)-6-methyl-piperazin-2-one (6R)-4-isopentyl-1-(3-methoxyphe…

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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)	3.27	1.84	-48.36	1	4	1	34	291.415	5	↓ MOL2 SDF SMILES Flexibase

54954874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylphenyl)piperazin-2-one 1-(3,5-dimethylphenyl)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)	1.48	3.9	-8.63	1	3	0	32	204.273	1	↓ MOL2 SDF SMILES Flexibase

37275742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-4-(2-methylpropanoyl)-1-(m-tolyl)piperazin-2-one (3R)-3-methyl-4-(2-methylpropano…

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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	7.62	-13.28	0	4	0	41	274.364	2	↓ MOL2 SDF SMILES Flexibase

37275744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-(2-methylpropanoyl)-1-(m-tolyl)piperazin-2-one (3S)-3-methyl-4-(2-methylpropano…

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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	7.71	-15.02	0	4	0	41	274.364	2	↓ MOL2 SDF SMILES Flexibase

37275750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-4-(3-methylbutanoyl)-1-(m-tolyl)piperazin-2-one (3R)-3-methyl-4-(3-methylbutanoy…

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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	8.56	-13.15	0	4	0	41	288.391	3	↓ MOL2 SDF SMILES Flexibase

37275752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-4-(3-methylbutanoyl)-1-(m-tolyl)piperazin-2-one (3S)-3-methyl-4-(3-methylbutanoy…

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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	8.71	-14.66	0	4	0	41	288.391	3	↓ MOL2 SDF SMILES Flexibase

37275766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3,3-dimethylbutanoyl)-3-methyl-1-(m-tolyl)piperazin-2-one (3R)-4-(3,3-dimethylbutanoyl)-3-…

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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)	3.30	9.08	-12.26	0	4	0	41	302.418	3	↓ MOL2 SDF SMILES Flexibase

37275769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(3,3-dimethylbutanoyl)-3-methyl-1-(m-tolyl)piperazin-2-one (3S)-4-(3,3-dimethylbutanoyl)-3-…

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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)	3.30	9.24	-13.83	0	4	0	41	302.418	3	↓ MOL2 SDF SMILES Flexibase

37275788

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (3R)-1-(4-ethylphenyl)-3-methyl-…

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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)	2.94	8.37	-12.83	0	4	0	41	288.391	3	↓ MOL2 SDF SMILES Flexibase

37275790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (3S)-1-(4-ethylphenyl)-3-methyl-…

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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)	2.94	8.63	-14.58	0	4	0	41	288.391	3	↓ MOL2 SDF SMILES Flexibase

37275792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (3R)-1-(4-ethylphenyl)-3-methyl-…

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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)	3.47	9.33	-12.86	0	4	0	41	302.418	4	↓ MOL2 SDF SMILES Flexibase

37275794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (3S)-1-(4-ethylphenyl)-3-methyl-…

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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)	3.47	9.48	-14.38	0	4	0	41	302.418	4	↓ MOL2 SDF SMILES Flexibase

37275804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3,3-dimethylbutanoyl)-1-(4-ethylphenyl)-3-methyl-piperazin-2-one (3R)-4-(3,3-dimethylbutanoyl)-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)	3.79	9.84	-12.02	0	4	0	41	316.445	4	↓ MOL2 SDF SMILES Flexibase

37275806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(3,3-dimethylbutanoyl)-1-(4-ethylphenyl)-3-methyl-piperazin-2-one (3S)-4-(3,3-dimethylbutanoyl)-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)	3.79	10	-13.39	0	4	0	41	316.445	4	↓ MOL2 SDF SMILES Flexibase

37275824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-fluoro-5-methyl-phenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (3R)-1-(2-fluoro-5-methyl-phenyl…

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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)	3.10	8.75	-15.15	0	4	0	41	306.381	3	↓ MOL2 SDF SMILES Flexibase

37275826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-fluoro-5-methyl-phenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (3S)-1-(2-fluoro-5-methyl-phenyl…

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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)	3.10	8.87	-16.97	0	4	0	41	306.381	3	↓ MOL2 SDF SMILES Flexibase

37275828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3,3-dimethylbutanoyl)-1-(2-fluoro-5-methyl-phenyl)-3-methyl-piperazin-2-one (3R)-4-(3,3-dimethylbutanoyl)-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)	3.42	9.28	-14.31	0	4	0	41	320.408	3	↓ MOL2 SDF SMILES Flexibase

37275830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(3,3-dimethylbutanoyl)-1-(2-fluoro-5-methyl-phenyl)-3-methyl-piperazin-2-one (3S)-4-(3,3-dimethylbutanoyl)-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)	3.42	9.4	-15.99	0	4	0	41	320.408	3	↓ MOL2 SDF SMILES Flexibase

37275872

Analogs

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Popular Name: (3R)-1-(4-isopropylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (3R)-1-(4-isopropylphenyl)-3-met…

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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)	3.54	8.86	-12.63	0	4	0	41	302.418	3	↓ MOL2 SDF SMILES Flexibase

37275874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-isopropylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (3S)-1-(4-isopropylphenyl)-3-met…

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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)	3.54	9.07	-14.3	0	4	0	41	302.418	3	↓ MOL2 SDF SMILES Flexibase

37275881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-isopropylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (3R)-1-(4-isopropylphenyl)-3-met…

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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)	4.07	9.86	-12.86	0	4	0	41	316.445	4	↓ MOL2 SDF SMILES Flexibase

37275883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-isopropylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (3S)-1-(4-isopropylphenyl)-3-met…

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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)	4.07	9.96	-14.25	0	4	0	41	316.445	4	↓ MOL2 SDF SMILES Flexibase

37275889

Analogs

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Popular Name: (3R)-4-(3,3-dimethylbutanoyl)-1-(4-isopropylphenyl)-3-methyl-piperazin-2-one (3R)-4-(3,3-dimethylbutanoyl)-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)	4.39	10.38	-12.08	0	4	0	41	330.472	4	↓ MOL2 SDF SMILES Flexibase

37275891

Analogs

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Popular Name: (3S)-4-(3,3-dimethylbutanoyl)-1-(4-isopropylphenyl)-3-methyl-piperazin-2-one (3S)-4-(3,3-dimethylbutanoyl)-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)	4.39	10.49	-13.36	0	4	0	41	330.472	4	↓ MOL2 SDF SMILES Flexibase

37275951

Analogs

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Popular Name: (3R)-1-(3-fluoro-4-methyl-phenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (3R)-1-(3-fluoro-4-methyl-phenyl…

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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)	3.10	8.59	-14.75	0	4	0	41	306.381	3	↓ MOL2 SDF SMILES Flexibase

37275953

Analogs

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Popular Name: (3S)-1-(3-fluoro-4-methyl-phenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (3S)-1-(3-fluoro-4-methyl-phenyl…

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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)	3.10	8.74	-14.6	0	4	0	41	306.381	3	↓ MOL2 SDF SMILES Flexibase

37275958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3,3-dimethylbutanoyl)-1-(3-fluoro-4-methyl-phenyl)-3-methyl-piperazin-2-one (3R)-4-(3,3-dimethylbutanoyl)-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)	3.42	9.11	-14	0	4	0	41	320.408	3	↓ MOL2 SDF SMILES Flexibase

37275960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(3,3-dimethylbutanoyl)-1-(3-fluoro-4-methyl-phenyl)-3-methyl-piperazin-2-one (3S)-4-(3,3-dimethylbutanoyl)-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)	3.42	9.27	-13.74	0	4	0	41	320.408	3	↓ MOL2 SDF SMILES Flexibase

37275970

Analogs

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Popular Name: (3R)-3-methyl-4-(2-methylpropanoyl)-1-(o-tolyl)piperazin-2-one (3R)-3-methyl-4-(2-methylpropano…

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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	7.92	-13.02	0	4	0	41	274.364	2	↓ MOL2 SDF SMILES Flexibase

37275972

Analogs

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Popular Name: (3S)-3-methyl-4-(2-methylpropanoyl)-1-(o-tolyl)piperazin-2-one (3S)-3-methyl-4-(2-methylpropano…

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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	8.07	-14.56	0	4	0	41	274.364	2	↓ MOL2 SDF SMILES Flexibase

37275978

Analogs

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Popular Name: (3R)-4-(3,3-dimethylbutanoyl)-3-methyl-1-(o-tolyl)piperazin-2-one (3R)-4-(3,3-dimethylbutanoyl)-3-…

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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)	3.28	9.51	-12.2	0	4	0	41	302.418	3	↓ MOL2 SDF SMILES Flexibase

37275980

Analogs

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Popular Name: (3S)-4-(3,3-dimethylbutanoyl)-3-methyl-1-(o-tolyl)piperazin-2-one (3S)-4-(3,3-dimethylbutanoyl)-3-…

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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)	3.28	9.63	-13.69	0	4	0	41	302.418	3	↓ MOL2 SDF SMILES Flexibase

37275982

Analogs

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Popular Name: (3R)-4-(2,2-dimethylpropanoyl)-3-methyl-1-(o-tolyl)piperazin-2-one (3R)-4-(2,2-dimethylpropanoyl)-3…

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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)	3.01	8.18	-12.74	0	4	0	41	288.391	2	↓ MOL2 SDF SMILES Flexibase

37275984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(2,2-dimethylpropanoyl)-3-methyl-1-(o-tolyl)piperazin-2-one (3S)-4-(2,2-dimethylpropanoyl)-3…

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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)	3.01	8.37	-14.37	0	4	0	41	288.391	2	↓ MOL2 SDF SMILES Flexibase

37275994

Analogs

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Popular Name: (3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (3R)-1-(2-ethylphenyl)-3-methyl-…

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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)	2.89	8.48	-12.28	0	4	0	41	288.391	3	↓ MOL2 SDF SMILES Flexibase

37275996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (3S)-1-(2-ethylphenyl)-3-methyl-…

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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)	2.89	8.64	-13.88	0	4	0	41	288.391	3	↓ MOL2 SDF SMILES Flexibase

37276002

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (3R)-1-(2-ethylphenyl)-3-methyl-…

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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)	3.42	9.55	-12.18	0	4	0	41	302.418	4	↓ MOL2 SDF SMILES Flexibase

37276004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (3S)-1-(2-ethylphenyl)-3-methyl-…

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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)	3.42	9.67	-13.75	0	4	0	41	302.418	4	↓ MOL2 SDF SMILES Flexibase

37276010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3,3-dimethylbutanoyl)-1-(2-ethylphenyl)-3-methyl-piperazin-2-one (3R)-4-(3,3-dimethylbutanoyl)-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)	3.74	10.07	-11.37	0	4	0	41	316.445	4	↓ 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

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