ZINC 12

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Query Details

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ZINC Item

Suppliers, Protomers, & Similar Substances

12401630

Analogs

4704828

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4E)-4-[(2-isopropoxy-3-methoxy-phenyl)methylene]-2,5-dioxo-imidazolidin-1-yl]-N-phenyl-acetamide 2-[(4E)-4-[(2-isopropoxy-3-metho…

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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)	2.17	-0.28	-16.49	2	8	0	102	409.442	7	↓ MOL2 SDF SMILES Flexibase

14008800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-ethoxy-4-[(E)-[1-[2-[(2-methoxyphenyl)amino]-2-oxo-ethyl]-2,5-dioxo-imidazolidin-4-ylidene]meth 2-[2-ethoxy-4-[(E)-[1-[2-[(2-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)	0.37	4.27	-27.16	4	11	0	155	468.466	10	↓ MOL2 SDF SMILES Flexibase

14009368

Analogs

3463605

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4E)-4-[(4-allyloxy-2-bromo-5-methoxy-phenyl)methylene]-2,5-dioxo-imidazolidin-1-yl]-N-(p-tolyl)a 2-[(4E)-4-[(4-allyloxy-2-bromo-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)	3.09	8.72	-18	2	8	0	102	500.349	8	↓ MOL2 SDF SMILES Flexibase

14009382

Analogs

8815746

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4Z)-4-[(4-allyloxy-3-chloro-5-methoxy-phenyl)methylene]-2,5-dioxo-imidazolidin-1-yl]-N-(p-tolyl) 2-[(4Z)-4-[(4-allyloxy-3-chloro-…

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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)	3.15	9.36	-18.38	2	8	0	102	455.898	8	↓ MOL2 SDF SMILES Flexibase

14009385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4Z)-4-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-2,5-dioxo-imidazolidin-1-yl]-N-(p-tol 2-[(4Z)-4-[(3-bromo-5-methoxy-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)	2.80	9.43	-19.87	2	8	0	102	498.333	7	↓ MOL2 SDF SMILES Flexibase

14009406

Analogs

8816367

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(Z)-[1-[2-[(3-chlorophenyl)amino]-2-oxo-ethyl]-2,5-dioxo-imidazolidin-4-ylidene]methyl]-2-etho 2-[4-[(Z)-[1-[2-[(3-chlorophenyl…

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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)	1.02	5.92	-26.15	4	10	0	146	472.885	9	↓ MOL2 SDF SMILES Flexibase

14009470

Analogs

8815820

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(Z)-[2,5-dioxo-1-[2-oxo-2-(p-tolylamino)ethyl]imidazolidin-4-ylidene]methyl]-2-methoxy-ph (2S)-2-[4-[(Z)-[2,5-dioxo-1-[2-o…

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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)	1.31	8.29	-63.83	2	10	-1	143	452.443	8	↓ MOL2 SDF SMILES Flexibase

14009473

Analogs

8815820

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(Z)-[2,5-dioxo-1-[2-oxo-2-(p-tolylamino)ethyl]imidazolidin-4-ylidene]methyl]-2-methoxy-ph (2R)-2-[4-[(Z)-[2,5-dioxo-1-[2-o…

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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)	1.31	8.32	-64.79	2	10	-1	143	452.443	8	↓ MOL2 SDF SMILES Flexibase

14009779

Analogs

3659352

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4E)-4-[(3-chloro-4-ethoxy-5-methoxy-phenyl)methylene]-2,5-dioxo-imidazolidin-1-yl]-N-(m-tolyl)ac 2-[(4E)-4-[(3-chloro-4-ethoxy-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)	2.86	8.27	-21.21	2	8	0	102	443.887	7	↓ MOL2 SDF SMILES Flexibase

14009809

Analogs

3659463

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)	1.95	8.39	-21.86	2	9	0	120	423.425	8	↓ MOL2 SDF SMILES Flexibase

14009812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4E)-4-[(5-bromo-2-methoxy-phenyl)methylene]-2,5-dioxo-imidazolidin-1-yl]-N-(m-tolyl)acetamide 2-[(4E)-4-[(5-bromo-2-methoxy-ph…

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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)	2.83	7.42	-17.06	2	7	0	93	444.285	5	↓ MOL2 SDF SMILES Flexibase

14009859

Analogs

3659284

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4E)-4-[(2-chloro-4,5-dimethoxy-phenyl)methylene]-2,5-dioxo-imidazolidin-1-yl]-N-(m-tolyl)acetami 2-[(4E)-4-[(2-chloro-4,5-dimetho…

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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)	2.29	7.14	-18.09	2	8	0	102	429.86	6	↓ MOL2 SDF SMILES Flexibase

14009886

Analogs

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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)	2.20	8.11	-19.88	2	8	0	110	393.399	6	↓ MOL2 SDF SMILES Flexibase

14010193

Analogs

8815760

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-sec-butoxy-3-chlorobenzylidene)-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide 2-[4-(4-sec-butoxy-3-chlorobenzy…

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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)	3.68	9.57	-18.55	2	7	0	93	445.878	7	↓ MOL2 SDF SMILES Flexibase

14010196

Analogs

8815760

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-sec-butoxy-3-chlorobenzylidene)-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide 2-[4-(4-sec-butoxy-3-chlorobenzy…

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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)	3.68	9.62	-17.98	2	7	0	93	445.878	7	↓ MOL2 SDF SMILES Flexibase

14011467

Analogs

4545314

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4E)-4-[(4-isopropoxy-3-methoxy-phenyl)methylene]-2,5-dioxo-imidazolidin-1-yl]-N-(p-tolyl)acetami 2-[(4E)-4-[(4-isopropoxy-3-metho…

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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)	2.44	8.22	-19.35	2	8	0	102	423.469	7	↓ MOL2 SDF SMILES Flexibase

14011493

Analogs

8815759

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[(4Z)-4-[(2-isopropoxy-3-methoxy-phenyl)methylene]-2,5-dioxo-imidazolidin-1-yl] N-(4-fluorophenyl)-2-[(4Z)-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)	2.33	8.43	-17.15	2	8	0	102	427.432	7	↓ MOL2 SDF SMILES Flexibase

2089463

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[(Z)-[1-[2-(4-fluoroanilino)-2-keto-ethyl]-2,5-diketo-imidazolidin-4-ylidene]methyl]-2-met (2S)-2-[4-[(Z)-[1-[2-(4-fluoroan…

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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)	1.03	0.48	-63.82	0	2	-1	142	456.406	10	↓ MOL2 SDF SMILES Flexibase

2089465

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[(Z)-[1-[2-(4-fluoroanilino)-2-keto-ethyl]-2,5-diketo-imidazolidin-4-ylidene]methyl]-2-met (2R)-2-[4-[(Z)-[1-[2-(4-fluoroan…

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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)	1.03	0.49	-64.77	0	2	-1	142	456.406	10	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 100243
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 = 100243 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=100243&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": "100243"        

    });
</script>

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Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results