ZINC 12

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ZINC Item

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36975789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4R)-1-[2-(4,4-dimethyl-2,5-d…

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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)	-3.40	0.04	-71.02	2	9	-1	130	298.275	3	↓ MOL2 SDF SMILES Flexibase

36975791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2R,4S)-1-[2-(4,4-dimethyl-2,5-d…

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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)	-3.40	0.04	-72.1	2	9	-1	130	298.275	3	↓ MOL2 SDF SMILES Flexibase

36975793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4R)-1-[2-(4,4-dimethyl-2,5-d…

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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)	-3.40	0.13	-70.38	2	9	-1	130	298.275	3	↓ MOL2 SDF SMILES Flexibase

36975795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetyl]-4-hydroxy-pyrrolidine-2-carboxylic (2S,4S)-1-[2-(4,4-dimethyl-2,5-d…

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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)	-3.40	0.13	-69	2	9	-1	130	298.275	3	↓ MOL2 SDF SMILES Flexibase

60504814

Analogs

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Popular Name: 3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazolidine-2,4-dione 3-(2-oxo-2-pyrrolidin-1-yl-ethyl…

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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)	-1.07	1.2	-16.38	1	6	0	70	211.221	2	↓ MOL2 SDF SMILES Flexibase

62913331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-3-methyl-pyrrolidine-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)	-1.48	2.11	-60.77	1	8	-1	110	268.249	3	↓ MOL2 SDF SMILES Flexibase

62913332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-3-methyl-pyrrolidine-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)	-1.48	2.19	-65.17	1	8	-1	110	268.249	3	↓ MOL2 SDF SMILES Flexibase

62913403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetyl]-3-methyl-pyrrolidine-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)	-0.67	3.58	-63.89	1	8	-1	110	296.303	3	↓ MOL2 SDF SMILES Flexibase

62913404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetyl]-3-methyl-pyrrolidine-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)	-0.67	3.5	-59.45	1	8	-1	110	296.303	3	↓ MOL2 SDF SMILES Flexibase

62913859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[2-(3-methyl-2,5-dioxo-imidazolidin-1-yl)acetyl]pyrrolidine-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)	-1.24	4.51	-61.25	0	8	-1	101	282.276	3	↓ MOL2 SDF SMILES Flexibase

62913860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-[2-(3-methyl-2,5-dioxo-imidazolidin-1-yl)acetyl]pyrrolidine-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)	-1.24	4.59	-65.95	0	8	-1	101	282.276	3	↓ MOL2 SDF SMILES Flexibase

62914778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-3-ethyl-pyrrolidine-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)	-1.15	2.78	-55.35	1	8	-1	110	282.276	4	↓ MOL2 SDF SMILES Flexibase

62914779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-3-ethyl-pyrrolidine-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)	-1.15	2.69	-64.36	1	8	-1	110	282.276	4	↓ MOL2 SDF SMILES Flexibase

62915546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[2-(3-methyl-2,5-dioxo-imidazolidin-1-yl)acetyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-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)	-0.90	5.17	-55.85	0	8	-1	101	296.303	4	↓ MOL2 SDF SMILES Flexibase

62915547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-[2-(3-methyl-2,5-dioxo-imidazolidin-1-yl)acetyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-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)	-0.90	5.08	-65.19	0	8	-1	101	296.303	4	↓ MOL2 SDF SMILES Flexibase

62922630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-3-propyl-pyrrolidine-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)	-0.59	3.55	-55.7	1	8	-1	110	296.303	5	↓ MOL2 SDF SMILES Flexibase

62922632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-3-propyl-pyrrolidine-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)	-0.59	3.44	-64.7	1	8	-1	110	296.303	5	↓ MOL2 SDF SMILES Flexibase

42145069

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	-1.32	4.87	-64.06	0	8	-1	101	282.276	4	↓ MOL2 SDF SMILES Flexibase

42145070

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	-1.32	4.85	-63.52	0	8	-1	101	282.276	4	↓ MOL2 SDF SMILES Flexibase

42433697

Analogs

42433698
42434278
42434279

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]imidazolidine-2,4-dione 3-[2-[(2R)-2-(hydroxymethyl)pyrr…

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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)	-1.72	-1.3	-16.59	2	7	0	90	241.247	3	↓ MOL2 SDF SMILES Flexibase

42433698

Analogs

42434278
42434279
42433697

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]imidazolidine-2,4-dione 3-[2-[(2S)-2-(hydroxymethyl)pyrr…

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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)	-1.72	-1.3	-16.74	2	7	0	90	241.247	3	↓ MOL2 SDF SMILES Flexibase

42434278

Analogs

42434279
42433697
42433698

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[2-[(2R)-2-(hydroxymethyl)pyrr…

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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)	-1.47	1.1	-16.88	1	7	0	81	255.274	3	↓ MOL2 SDF SMILES Flexibase

42434279

Analogs

42433697
42433698
42434278

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[2-[(2S)-2-(hydroxymethyl)pyrr…

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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)	-1.47	1.1	-16.72	1	7	0	81	255.274	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 128651
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 = 128651 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=128651&filter.purchasability=annotated

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">
    window.zinc.embed('zinc-link', {
        "ring.id": "128651"        

    });
</script>

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Structural Results Found: (before additional filtering)

SQL Query Was