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ZINC Item

Suppliers, Protomers, & Similar Substances

19440524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(piperidin-4-yl)imidazolidin-2-one 1-(piperidin-4-yl)imidazolidin-2…

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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)	-0.67	0.77	-43.23	3	4	1	49	170.236	1	↓ MOL2 SDF SMILES Flexibase

54714720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(2R)-3-chloro-2-methyl-propanoyl]-4-piperidyl]imidazolidin-2-one 1-[1-[(2R)-3-chloro-2-methyl-pro…

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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)	0.60	3.9	-15.43	1	5	0	53	273.764	3	↓ MOL2 SDF SMILES Flexibase

54714721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(2S)-3-chloro-2-methyl-propanoyl]-4-piperidyl]imidazolidin-2-one 1-[1-[(2S)-3-chloro-2-methyl-pro…

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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)	0.60	3.9	-15.15	1	5	0	53	273.764	3	↓ MOL2 SDF SMILES Flexibase

61295826

Analogs

43605244

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[3-(ethylamino)propanoyl]-4-piperidyl]imidazolidin-2-one 1-[1-[3-(ethylamino)propanoyl]-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.67	2.9	-50.02	3	6	1	69	269.369	5	↓ MOL2 SDF SMILES Flexibase

61295833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[2-(ethylamino)-2-methyl-propanoyl]-4-piperidyl]imidazolidin-2-one 1-[1-[2-(ethylamino)-2-methyl-pr…

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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)	0.22	2.71	-40.47	3	6	1	69	283.396	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.22	2.81	-15.1	2	6	0	65	282.388	4	↓ MOL2 SDF SMILES Flexibase

61317466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[2-methyl-2-(methylamino)propanoyl]-4-piperidyl]imidazolidin-2-one 1-[1-[2-methyl-2-(methylamino)pr…

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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)	-0.16	1.87	-41.75	3	6	1	69	269.369	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.16	1.96	-15.52	2	6	0	65	268.361	3	↓ MOL2 SDF SMILES Flexibase

61491038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(2S)-2-bromobutanoyl]-4-piperidyl]imidazolidin-2-one 1-[1-[(2S)-2-bromobutanoyl]-4-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)	0.85	4.07	-17.55	1	5	0	53	318.215	3	↓ MOL2 SDF SMILES Flexibase

61491041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(2R)-2-bromobutanoyl]-4-piperidyl]imidazolidin-2-one 1-[1-[(2R)-2-bromobutanoyl]-4-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)	0.85	4.08	-18.09	1	5	0	53	318.215	3	↓ MOL2 SDF SMILES Flexibase

69493176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]-4-piperidyl]imidazolidin-2-one 1-ethyl-3-[1-[2-(2,2,2-trifluoro…

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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	7.65	-44.89	1	5	1	37	324.367	7	↓ MOL2 SDF SMILES Flexibase

69511570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[1-(2-isopropoxyethyl)-4-piperidyl]imidazolidin-2-one 1-ethyl-3-[1-(2-isopropoxyethyl)…

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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)	1.62	7.94	-38.58	1	5	1	37	284.424	6	↓ MOL2 SDF SMILES Flexibase

69511788

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[1-(3-methoxypropyl)-4-piperidyl]imidazolidin-2-one 1-ethyl-3-[1-(3-methoxypropyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.15	6.85	-40.47	1	5	1	37	270.397	6	↓ MOL2 SDF SMILES Flexibase

69511912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[1-(2-methoxyethyl)-4-piperidyl]imidazolidin-2-one 1-ethyl-3-[1-(2-methoxyethyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.88	6.22	-38.5	1	5	1	37	256.37	5	↓ MOL2 SDF SMILES Flexibase

69560067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(3-ethyl-2-oxo-imidazolidin-1-yl)-1-piperidyl]-N-(3-methoxypropyl)propanamide (2S)-2-[4-(3-ethyl-2-oxo-imidazo…

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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)	0.59	5.81	-45.07	2	7	1	66	341.476	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.59	3.67	-20.25	1	7	0	65	340.468	8	↓ MOL2 SDF SMILES Flexibase

69560068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(3-ethyl-2-oxo-imidazolidin-1-yl)-1-piperidyl]-N-(3-methoxypropyl)propanamide (2R)-2-[4-(3-ethyl-2-oxo-imidazo…

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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)	0.59	5.79	-45.12	2	7	1	66	341.476	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.59	3.61	-20.04	1	7	0	65	340.468	8	↓ MOL2 SDF SMILES Flexibase

69702158

Analogs

52215967

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-ethyl-2-oxo-imidazolidin-1-yl)-1-piperidyl]-N-(3-methoxypropyl)acetamide 2-[4-(3-ethyl-2-oxo-imidazolidin…

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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)	0.76	5.42	-47.16	2	7	1	66	327.449	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.76	3.26	-20.36	1	7	0	65	326.441	8	↓ MOL2 SDF SMILES Flexibase

69705852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-ethyl-2-oxo-imidazolidin-1-yl)-1-piperidyl]-N-(2-methoxyethyl)acetamide 2-[4-(3-ethyl-2-oxo-imidazolidin…

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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)	0.49	4.66	-45.6	2	7	1	66	313.422	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.49	2.51	-20.57	1	7	0	65	312.414	7	↓ MOL2 SDF SMILES Flexibase

69705855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-2-[4-(3-ethyl-2-oxo-imidazolidin-1-yl)-1-piperidyl]-N-methyl-acetamide N-(2-cyanoethyl)-2-[4-(3-ethyl-2…

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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	8.16	-55.33	1	7	1	72	322.433	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.30	5.99	-24.8	0	7	0	71	321.425	6	↓ MOL2 SDF SMILES Flexibase

69737143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(2-ethoxyethyl)-4-piperidyl]-3-ethyl-imidazolidin-2-one 1-[1-(2-ethoxyethyl)-4-piperidyl…

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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)	1.25	7.18	-38.57	1	5	1	37	270.397	6	↓ MOL2 SDF SMILES Flexibase

69737586

Analogs

52216688

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-ethyl-2-oxo-imidazolidin-1-yl)-1-piperidyl]-N-(2,2,2-trifluoroethyl)acetamide 2-[4-(3-ethyl-2-oxo-imidazolidin…

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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)	1.43	6.04	-47.83	2	6	1	57	337.366	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.43	3.89	-18.37	1	6	0	56	336.358	6	↓ MOL2 SDF SMILES Flexibase

69807767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(3-ethyl-2-oxo-imidazolidin-1-yl)-1-piperidyl]-N,N-dimethyl-propane-1-sulfonamide 3-[4-(3-ethyl-2-oxo-imidazolidin…

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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)	0.57	5.86	-53.09	1	7	1	65	347.505	7	↓ MOL2 SDF SMILES Flexibase

69848450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[1-(3-methylsulfonylpropyl)-4-piperidyl]imidazolidin-2-one 1-ethyl-3-[1-(3-methylsulfonylpr…

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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)	0.57	5.34	-54.16	1	6	1	62	318.463	6	↓ MOL2 SDF SMILES Flexibase

69917723

Analogs

52215674
52216443
52217729

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-acetamidoethyl)-2-[4-(3-ethyl-2-oxo-imidazolidin-1-yl)-1-piperidyl]acetamide N-(2-acetamidoethyl)-2-[4-(3-eth…

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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)	-0.35	3.92	-52.07	3	8	1	86	340.448	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.35	1.78	-24.09	2	8	0	85	339.44	7	↓ MOL2 SDF SMILES Flexibase

70087700

Analogs

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Popular Name: 1-[1-(4-amino-4-methyl-pentanoyl)-4-piperidyl]imidazolidin-2-one 1-[1-(4-amino-4-methyl-pentanoyl…

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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)	0.01	1.95	-51.22	4	6	1	80	283.396	4	↓ MOL2 SDF SMILES Flexibase

41073491

Analogs

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Popular Name: 2-[2-oxo-2-[4-(2-oxoimidazolidin-1-yl)-1-piperidyl]ethoxy]acetic 2-[2-oxo-2-[4-(2-oxoimidazolidin…

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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)	-1.52	3.57	-69.13	1	8	-1	102	284.292	5	↓ MOL2 SDF SMILES Flexibase

70202625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(5-aminopentanoyl)-4-piperidyl]imidazolidin-2-one 1-[1-(5-aminopentanoyl)-4-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)	-0.90	1.75	-56.27	4	6	1	80	269.369	5	↓ MOL2 SDF SMILES Flexibase

70316816

Analogs

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Popular Name: 1-[1-[(4S)-4-aminopentanoyl]-4-piperidyl]imidazolidin-2-one 1-[1-[(4S)-4-aminopentanoyl]-4-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)	-1.01	1.69	-56.47	4	6	1	80	269.369	4	↓ MOL2 SDF SMILES Flexibase

70316817

Analogs

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Popular Name: 1-[1-[(4R)-4-aminopentanoyl]-4-piperidyl]imidazolidin-2-one 1-[1-[(4R)-4-aminopentanoyl]-4-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)	-1.01	1.69	-59.53	4	6	1	80	269.369	4	↓ MOL2 SDF SMILES Flexibase

49267265

Analogs

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Popular Name: N-(3-methoxypropyl)-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-(3-methoxypropyl)-4-(2-oxoimid…

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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)	0.38	1.63	-18.78	2	7	0	74	284.36	5	↓ MOL2 SDF SMILES Flexibase

49267268

Analogs

37832578

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-methylpropyl]-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-[(1R)-1-methylpropyl]-4-(2-oxo…

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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)	1.34	3.59	-18.36	2	6	0	65	268.361	3	↓ MOL2 SDF SMILES Flexibase

49267272

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methylpropyl]-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-[(1S)-1-methylpropyl]-4-(2-oxo…

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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)	1.34	3.53	-19.02	2	6	0	65	268.361	3	↓ MOL2 SDF SMILES Flexibase

49317653

Analogs

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Popular Name: 2,2-dimethyl-3-oxo-3-[4-(2-oxoimidazolidin-1-yl)-1-piperidyl]propanenitrile 2,2-dimethyl-3-oxo-3-[4-(2-oxoim…

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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)	0.19	3.05	-20.99	1	6	0	76	264.329	2	↓ MOL2 SDF SMILES Flexibase

49332956

Analogs

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Popular Name: N-[3-[4-(2-oxoimidazolidin-1-yl)-1-piperidyl]propyl]methanesulfonamide N-[3-[4-(2-oxoimidazolidin-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)	-0.64	0.6	-53.79	3	7	1	83	305.424	6	↓ MOL2 SDF SMILES Flexibase

49332982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-2-[4-(2-oxoimidazolidin-1-yl)-1-piperidyl]acetamide N-(2-cyanoethyl)-2-[4-(2-oxoimid…

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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)	-1.01	2.76	-57.67	3	7	1	90	280.352	5	↓ MOL2 SDF SMILES Flexibase

49332996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(methylcarbamoyl)-2-[4-(2-oxoimidazolidin-1-yl)-1-piperidyl]acetamide N-(methylcarbamoyl)-2-[4-(2-oxoi…

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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)	-0.82	1.53	-60.16	4	8	1	95	284.34	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.82	-0.62	-31.09	3	8	0	94	283.332	3	↓ MOL2 SDF SMILES Flexibase

49332999

Analogs

52216443
52217729
37817521
37817539
37817548

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-oxoimidazolidin-1-yl)-1-piperidyl]-N-propyl-acetamide 2-[4-(2-oxoimidazolidin-1-yl)-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)	0.41	3.02	-45.97	3	6	1	66	269.369	5	↓ MOL2 SDF SMILES Flexibase

49335883

Analogs

37837810

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-ethylsulfonyl-4-piperidyl)imidazolidin-2-one 1-(1-ethylsulfonyl-4-piperidyl)i…

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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)	-0.32	0.56	-23.38	1	6	0	70	261.347	3	↓ MOL2 SDF SMILES Flexibase

49335886

Analogs

37837810

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-isopropylsulfonyl-4-piperidyl)imidazolidin-2-one 1-(1-isopropylsulfonyl-4-piperid…

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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)	0.04	1.27	-23.31	1	6	0	70	275.374	3	↓ MOL2 SDF SMILES Flexibase

49335888

Analogs

37842758
37837809
37837810

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-propylsulfonyl-4-piperidyl)imidazolidin-2-one 1-(1-propylsulfonyl-4-piperidyl)…

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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)	0.18	1.36	-23.24	1	6	0	70	275.374	4	↓ MOL2 SDF SMILES Flexibase

49335891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-methylsulfonyl-4-piperidyl)imidazolidin-2-one 1-(1-methylsulfonyl-4-piperidyl)…

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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	-0.34	-23.53	1	6	0	70	247.32	2	↓ MOL2 SDF SMILES Flexibase

49335894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-(2-oxoimidazolidin-1-yl)piperidine-1-sulfonamide N,N-diethyl-4-(2-oxoimidazolidin…

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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)	0.06	1.71	-21.3	1	7	0	73	304.416	5	↓ MOL2 SDF SMILES Flexibase

49338822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-isopropyl-4-(2-oxoimidazolidin…

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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)	0.80	2.62	-18.44	2	6	0	65	254.334	2	↓ MOL2 SDF SMILES Flexibase

49338915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-allyl-4-(2-oxoimidazolidin-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.77	2.36	-18.31	2	6	0	65	252.318	3	↓ MOL2 SDF SMILES Flexibase

49339103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-oxoimidazolidin-1-yl)-N-prop-2-ynyl-piperidine-1-carboxamide 4-(2-oxoimidazolidin-1-yl)-N-pro…

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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)	0.29	2.3	-18.18	2	6	0	65	250.302	2	↓ MOL2 SDF SMILES Flexibase

49339358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-ethylpropyl)-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-(1-ethylpropyl)-4-(2-oxoimidaz…

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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	3.91	-17.53	2	6	0	65	282.388	4	↓ MOL2 SDF SMILES Flexibase

49339401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-methylbutyl]-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-[(1R)-1-methylbutyl]-4-(2-oxoi…

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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)	1.90	4.36	-18.13	2	6	0	65	282.388	4	↓ MOL2 SDF SMILES Flexibase

49339404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methylbutyl]-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-[(1S)-1-methylbutyl]-4-(2-oxoi…

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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)	1.90	4.35	-18.83	2	6	0	65	282.388	4	↓ MOL2 SDF SMILES Flexibase

49339666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methoxy-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-methoxy-4-(2-oxoimidazolidin-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)	-0.46	1.96	-22.07	2	7	0	74	242.279	2	↓ MOL2 SDF SMILES Flexibase

49339727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1,2-dimethylpropyl]-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-[(1R)-1,2-dimethylpropyl]-4-(2…

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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)	1.58	4.12	-18.24	2	6	0	65	282.388	3	↓ MOL2 SDF SMILES Flexibase

49339729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1,2-dimethylpropyl]-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-[(1S)-1,2-dimethylpropyl]-4-(2…

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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)	1.58	3.83	-18.13	2	6	0	65	282.388	3	↓ MOL2 SDF SMILES Flexibase

49339766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide N-ethyl-4-(2-oxoimidazolidin-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.50	1.81	-18.59	2	6	0	65	240.307	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 48366
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 = 48366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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