ZINC 12

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ZINC Item

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49378648

Analogs

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Popular Name: 2-(2-oxo-3-phenyl-imidazolidin-1-yl)-N-[(3R)-2-oxotetrahydrothiophen-3-yl]acetamide 2-(2-oxo-3-phenyl-imidazolidin-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.93	6.07	-30.71	1	6	0	70	319.386	4	↓ MOL2 SDF SMILES Flexibase

49378652

Analogs

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Popular Name: 2-(2-oxo-3-phenyl-imidazolidin-1-yl)-N-[(3S)-2-oxotetrahydrothiophen-3-yl]acetamide 2-(2-oxo-3-phenyl-imidazolidin-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.93	6.07	-24.54	1	6	0	70	319.386	4	↓ MOL2 SDF SMILES Flexibase

49379711

Analogs

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Popular Name: 2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]-N-[(3R)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[2-oxo-3-(p-tolyl)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)	2.38	6.75	-30.82	1	6	0	70	333.413	4	↓ MOL2 SDF SMILES Flexibase

49379713

Analogs

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Popular Name: 2-[2-oxo-3-(p-tolyl)imidazolidin-1-yl]-N-[(3S)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[2-oxo-3-(p-tolyl)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)	2.38	6.75	-24.56	1	6	0	70	333.413	4	↓ MOL2 SDF SMILES Flexibase

49380723

Analogs

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Popular Name: 2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(3R)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(4-fluorophenyl)-2-oxo-imid…

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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)	2.09	6.14	-29.96	1	6	0	70	337.376	4	↓ MOL2 SDF SMILES Flexibase

49380725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(3S)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(4-fluorophenyl)-2-oxo-imid…

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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)	2.09	6.14	-23.94	1	6	0	70	337.376	4	↓ MOL2 SDF SMILES Flexibase

49381421

Analogs

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Popular Name: 2-[3-(2-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(3R)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(2-fluorophenyl)-2-oxo-imid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.04	6.42	-30.95	1	6	0	70	337.376	4	↓ MOL2 SDF SMILES Flexibase

49381423

Analogs

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Popular Name: 2-[3-(2-fluorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(3S)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(2-fluorophenyl)-2-oxo-imid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.04	6.42	-25.47	1	6	0	70	337.376	4	↓ MOL2 SDF SMILES Flexibase

49382093

Analogs

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Popular Name: 2-[3-(3-chlorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(3R)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(3-chlorophenyl)-2-oxo-imid…

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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)	2.58	6.59	-28.07	1	6	0	70	353.831	4	↓ MOL2 SDF SMILES Flexibase

49382095

Analogs

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Popular Name: 2-[3-(3-chlorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(3S)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(3-chlorophenyl)-2-oxo-imid…

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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)	2.58	6.59	-22.64	1	6	0	70	353.831	4	↓ MOL2 SDF SMILES Flexibase

49382765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-chlorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(3R)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(4-chlorophenyl)-2-oxo-imid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	6.59	-29.45	1	6	0	70	353.831	4	↓ MOL2 SDF SMILES Flexibase

49382767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-chlorophenyl)-2-oxo-imidazolidin-1-yl]-N-[(3S)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(4-chlorophenyl)-2-oxo-imid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	6.59	-23.45	1	6	0	70	353.831	4	↓ MOL2 SDF SMILES Flexibase

49384511

Analogs

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Popular Name: 2-[3-(4-methoxyphenyl)-2-oxo-imidazolidin-1-yl]-N-[(3R)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(4-methoxyphenyl)-2-oxo-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)	1.98	5.36	-30.88	1	7	0	79	349.412	5	↓ MOL2 SDF SMILES Flexibase

49384515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-methoxyphenyl)-2-oxo-imidazolidin-1-yl]-N-[(3S)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(4-methoxyphenyl)-2-oxo-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)	1.98	5.36	-24.95	1	7	0	79	349.412	5	↓ MOL2 SDF SMILES Flexibase

49386591

Analogs

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Popular Name: 2-[3-(4-ethoxyphenyl)-2-oxo-imidazolidin-1-yl]-N-[(3R)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(4-ethoxyphenyl)-2-oxo-imid…

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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	6.29	-30.71	1	7	0	79	363.439	6	↓ MOL2 SDF SMILES Flexibase

49386594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-ethoxyphenyl)-2-oxo-imidazolidin-1-yl]-N-[(3S)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(4-ethoxyphenyl)-2-oxo-imid…

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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	6.29	-24.75	1	7	0	79	363.439	6	↓ MOL2 SDF SMILES Flexibase

49387705

Analogs

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Popular Name: 2-[3-(3,4-dimethoxyphenyl)-2-oxo-imidazolidin-1-yl]-N-[(3R)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(3,4-dimethoxyphenyl)-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)	1.57	5.27	-32.5	1	8	0	88	379.438	6	↓ MOL2 SDF SMILES Flexibase

49387710

Analogs

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Popular Name: 2-[3-(3,4-dimethoxyphenyl)-2-oxo-imidazolidin-1-yl]-N-[(3S)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(3,4-dimethoxyphenyl)-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)	1.57	5.27	-26.64	1	8	0	88	379.438	6	↓ MOL2 SDF SMILES Flexibase

49403156

Analogs

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Popular Name: 2-[3-(2,5-dimethoxyphenyl)-2-oxo-imidazolidin-1-yl]-N-[(3R)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(2,5-dimethoxyphenyl)-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)	1.97	5.01	-34.27	1	8	0	88	379.438	6	↓ MOL2 SDF SMILES Flexibase

49403160

Analogs

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Popular Name: 2-[3-(2,5-dimethoxyphenyl)-2-oxo-imidazolidin-1-yl]-N-[(3S)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(2,5-dimethoxyphenyl)-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)	1.97	5.01	-28.31	1	8	0	88	379.438	6	↓ MOL2 SDF SMILES Flexibase

49404161

Analogs

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Popular Name: 2-[3-(4-isopropylphenyl)-2-oxo-imidazolidin-1-yl]-N-[(3R)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(4-isopropylphenyl)-2-oxo-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)	3.44	7.99	-30.41	1	6	0	70	361.467	5	↓ MOL2 SDF SMILES Flexibase

49404164

Analogs

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Popular Name: 2-[3-(4-isopropylphenyl)-2-oxo-imidazolidin-1-yl]-N-[(3S)-2-oxotetrahydrothiophen-3-yl]acetamide 2-[3-(4-isopropylphenyl)-2-oxo-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)	3.44	7.99	-24.17	1	6	0	70	361.467	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 558458
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 = 558458 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=558458&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": "558458"        

    });
</script>

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

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