ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36640874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	2.10	7.3	-17.5	1	8	0	96	367.446	8	↓ MOL2 SDF SMILES Flexibase

36875531

Analogs

36875532
21704696
21704698
21704701

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-[(2S)-2-methyl-1-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)	2.70	7.32	-12.83	1	6	0	70	323.437	6	↓ MOL2 SDF SMILES Flexibase

36875532

Analogs

21704696
21704698
21704701

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-[(2R)-2-methyl-1-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)	2.70	7.28	-12.68	1	6	0	70	323.437	6	↓ MOL2 SDF SMILES Flexibase

36875551

Analogs

36875552
36875553
36875566
36875567

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-[(3S,5R)-3,5-dimethyl-1-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)	3.08	7.87	-13.5	1	6	0	70	337.464	6	↓ MOL2 SDF SMILES Flexibase

36875552

Analogs

36875553
36875566
36875567
36875551

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-[(3S,5S)-3,5-dimethyl-1-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)	3.08	8.1	-13.68	1	6	0	70	337.464	6	↓ MOL2 SDF SMILES Flexibase

36875553

Analogs

36875566
36875567
36875551
36875552

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-[(3R,5R)-3,5-dimethyl-1-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)	3.08	8.1	-13.21	1	6	0	70	337.464	6	↓ MOL2 SDF SMILES Flexibase

36875566

Analogs

36875567
36875551
36875552
36875553

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-[(3S)-3-methyl-1-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)	2.61	7.27	-13.86	1	6	0	70	323.437	6	↓ MOL2 SDF SMILES Flexibase

36875567

Analogs

36875551
36875552
36875553
36875566

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-[(3R)-3-methyl-1-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)	2.61	7.29	-14.02	1	6	0	70	323.437	6	↓ MOL2 SDF SMILES Flexibase

36965124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetyl]piperidine-4-carboxylic 1-[2-(4,4-dimethyl-2,5-dioxo-imi…

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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	3.88	-57.44	1	8	-1	110	296.303	3	↓ MOL2 SDF SMILES Flexibase

36965171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-4-carboxylic 1-[2-(2,5-dioxoimidazolidin-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)	-1.45	2.43	-57.15	1	8	-1	110	268.249	3	↓ MOL2 SDF SMILES Flexibase

36965173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-methyl-2,5-dioxo-imidazolidin-1-yl)acetyl]piperidine-4-carboxylic 1-[2-(3-methyl-2,5-dioxo-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)	-1.21	4.9	-59.17	0	8	-1	101	282.276	3	↓ MOL2 SDF SMILES Flexibase

36974449

Analogs

26898126
26898123
13000413

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetyl]piperidine-3-carboxylic (3S)-1-[2-(4,4-dimethyl-2,5-diox…

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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	3.85	-61.19	1	8	-1	110	296.303	3	↓ MOL2 SDF SMILES Flexibase

36974451

Analogs

26898126
26898123
13000413

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetyl]piperidine-3-carboxylic (3R)-1-[2-(4,4-dimethyl-2,5-diox…

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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	3.81	-60.87	1	8	-1	110	296.303	3	↓ MOL2 SDF SMILES Flexibase

36974737

Analogs

36222721

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic (2S)-1-[2-(2,5-dioxoimidazolidin…

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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)	-2.79	3.58	-73.29	1	8	-1	110	268.249	3	↓ MOL2 SDF SMILES Flexibase

36974739

Analogs

36222721

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic (2R)-1-[2-(2,5-dioxoimidazolidin…

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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)	-2.79	3.63	-73.13	1	8	-1	110	268.249	3	↓ MOL2 SDF SMILES Flexibase

60504834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-oxo-2-(1-piperidyl)ethyl]imidazolidine-2,4-dione 3-[2-oxo-2-(1-piperidyl)ethyl]im…

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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	1.95	-15.73	1	6	0	70	225.248	2	↓ MOL2 SDF SMILES Flexibase

62842338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-methyl-piperidine-4-carboxylic 1-[2-(2,5-dioxoimidazolidin-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)	-1.21	2.75	-59.76	1	8	-1	110	282.276	3	↓ MOL2 SDF SMILES Flexibase

62842484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[2-(3-methyl-2,5-dioxo-imidazolidin-1-yl)acetyl]piperidine-4-carboxylic 4-methyl-1-[2-(3-methyl-2,5-diox…

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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)	-0.97	5.14	-60.27	0	8	-1	101	296.303	3	↓ MOL2 SDF SMILES Flexibase

62844747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-ethyl-piperidine-4-carboxylic 1-[2-(2,5-dioxoimidazolidin-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)	-0.88	3.19	-57.03	1	8	-1	110	296.303	4	↓ MOL2 SDF SMILES Flexibase

62868662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[2-(2,5-dioxoimidazolidin…

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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)	-1.21	3.18	-62.44	1	8	-1	110	282.276	3	↓ MOL2 SDF SMILES Flexibase

62868663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[2-(2,5-dioxoimidazolidin…

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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)	-1.21	3.19	-62.37	1	8	-1	110	282.276	3	↓ MOL2 SDF SMILES Flexibase

62869034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[2-(3-methyl-2,5-dioxo-imidazolidin-1-yl)acetyl]piperidine-3-carboxylic (3S)-3-methyl-1-[2-(3-methyl-2,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.97	5.57	-63	0	8	-1	101	296.303	3	↓ MOL2 SDF SMILES Flexibase

62869035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-(3-methyl-2,5-dioxo-imidazolidin-1-yl)acetyl]piperidine-3-carboxylic (3R)-3-methyl-1-[2-(3-methyl-2,5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.97	5.58	-62.83	0	8	-1	101	296.303	3	↓ MOL2 SDF SMILES Flexibase

62869883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[2-(2,5-dioxoimidazolidin…

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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	3.63	-60.09	1	8	-1	110	296.303	4	↓ MOL2 SDF SMILES Flexibase

62869884

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[2-(2,5-dioxoimidazolidin…

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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	3.68	-60.25	1	8	-1	110	296.303	4	↓ MOL2 SDF SMILES Flexibase

69800339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-ethyl-5-isopropyl-3-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]imidazolidine-2,4-dione (5S)-5-ethyl-5-isopropyl-3-[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)	1.82	6.17	-12.75	1	6	0	70	309.41	4	↓ MOL2 SDF SMILES Flexibase

69800341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-ethyl-5-isopropyl-3-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]imidazolidine-2,4-dione (5R)-5-ethyl-5-isopropyl-3-[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)	1.82	6.32	-12.45	1	6	0	70	309.41	4	↓ MOL2 SDF SMILES Flexibase

69800343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-ethyl-5-isopropyl-3-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]imidazolidine-2,4-dione (5S)-5-ethyl-5-isopropyl-3-[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)	1.82	6.13	-12.6	1	6	0	70	309.41	4	↓ MOL2 SDF SMILES Flexibase

69800345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-ethyl-5-isopropyl-3-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]imidazolidine-2,4-dione (5R)-5-ethyl-5-isopropyl-3-[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)	1.82	6.29	-12.32	1	6	0	70	309.41	4	↓ MOL2 SDF SMILES Flexibase

69801418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-5-ethyl-5-isopropyl-imidazolidine-2,4-dion (5S)-3-[2-[(3S,5R)-3,5-dimethyl-…

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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)	2.21	6.71	-13.32	1	6	0	70	323.437	4	↓ MOL2 SDF SMILES Flexibase

69801420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-5-ethyl-5-isopropyl-imidazolidine-2,4-dion (5R)-3-[2-[(3S,5R)-3,5-dimethyl-…

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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)	2.21	6.85	-12.96	1	6	0	70	323.437	4	↓ MOL2 SDF SMILES Flexibase

69801422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-5-ethyl-5-isopropyl-imidazolidine-2,4-dion (5S)-3-[2-[(3S,5S)-3,5-dimethyl-…

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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)	2.21	6.95	-13.59	1	6	0	70	323.437	4	↓ MOL2 SDF SMILES Flexibase

69801425

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Popular Name: (5R)-3-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-5-ethyl-5-isopropyl-imidazolidine-2,4-dion (5R)-3-[2-[(3S,5S)-3,5-dimethyl-…

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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)	2.21	7.1	-13.27	1	6	0	70	323.437	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 106417
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 = 106417 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=106417&filter.purchasability=annotated

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "106417"        

    });
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