ZINC 12

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ZINC Item

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11997482

Analogs

16696077
16696078
16696079

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3-chloro-2-methyl-phenyl)-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)	2.66	-7.18	-21.15	1	7	0	101	414.892	4	↓ MOL2 SDF SMILES Flexibase

11997485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(5-chloro-2-methyl-phenyl)-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)	2.69	-7.44	-22.63	1	7	0	101	414.892	4	↓ MOL2 SDF SMILES Flexibase

11997492

Analogs

16669782

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3-fluorophenyl)-4-(1,1,3-trio…

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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)	1.77	-7.04	-22.21	1	7	0	101	384.41	4	↓ MOL2 SDF SMILES Flexibase

11997516

Analogs

16676608
16677318
16677319
16701459
16701461

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-[4-chloro-3-(trifluoromethyl)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)	3.14	-5.79	-21.97	1	7	0	101	468.862	5	↓ MOL2 SDF SMILES Flexibase

11997519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-[4-chloro-2-(trifluoromethyl)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)	3.14	-5.38	-20.12	1	7	0	101	468.862	5	↓ MOL2 SDF SMILES Flexibase

11997527

Analogs

16676609
16677321
16677323

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorophenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3,4-dichlorophenyl)-4-(1,1,3-…

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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)	2.92	-8.06	-21.83	1	7	0	101	435.31	4	↓ MOL2 SDF SMILES Flexibase

11997529

Analogs

16676617
16677329
16677330

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(2,4-dichlorophenyl)-4-(1,1,3-…

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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)	2.92	-7.91	-20.16	1	7	0	101	435.31	4	↓ MOL2 SDF SMILES Flexibase

11997532

Analogs

11997540
16676620
16677316
16677317
16677345

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dichlorophenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(2,5-dichlorophenyl)-4-(1,1,3-…

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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)	2.92	-7.71	-20.54	1	7	0	101	435.31	4	↓ MOL2 SDF SMILES Flexibase

11997537

Analogs

11904491

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichlorophenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3,5-dichlorophenyl)-4-(1,1,3-…

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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)	2.92	-8.07	-20.72	1	7	0	101	435.31	4	↓ MOL2 SDF SMILES Flexibase

11997538

Analogs

16676617
16677329
16677330
11904489

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dichlorophenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(2,6-dichlorophenyl)-4-(1,1,3-…

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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)	2.89	-7.76	-22.58	1	7	0	101	435.31	4	↓ MOL2 SDF SMILES Flexibase

11997540

Analogs

16676620
16677316
16677317
16677345
16677346

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dichlorophenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(2,3-dichlorophenyl)-4-(1,1,3-…

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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)	2.89	-7.69	-21.26	1	7	0	101	435.31	4	↓ MOL2 SDF SMILES Flexibase

11997541

Analogs

16676602
16677311

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(4-chloro-2,5-dimethoxy-phenyl…

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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)	2.28	-7.72	-22.54	1	9	0	119	460.917	6	↓ MOL2 SDF SMILES Flexibase

11997544

Analogs

16700342
16700348
16701400
16701404
16701406

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(4-chloro-2-methoxy-5-methyl-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)	2.67	-7.47	-21.56	1	8	0	110	444.918	5	↓ MOL2 SDF SMILES Flexibase

11998365

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(m-tolyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-ethyl-N-(m-tolyl)-4-(1,1,3-tri…

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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)	2.68	-6.05	-22.32	0	7	0	92	408.501	5	↓ MOL2 SDF SMILES Flexibase

11998386

Analogs

16663207
16663210
16663213
16701655
16701656

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3-chloro-2-methyl-phenyl)-2,6…

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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)	3.42	-6.49	-20.65	1	7	0	101	442.946	4	↓ MOL2 SDF SMILES Flexibase

11998387

Analogs

16663207
16663210
16663213
16701655
11904080

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(5-chloro-2-methyl-phenyl)-2,6…

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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	-6.23	-22.63	1	7	0	101	442.946	4	↓ MOL2 SDF SMILES Flexibase

11998388

Analogs

16701424
16701637
16701640

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3-fluorophenyl)-2,6-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)	2.53	-5.93	-23.33	1	7	0	101	412.464	4	↓ MOL2 SDF SMILES Flexibase

11998396

Analogs

16701459
16701461
16701462

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulf N-[4-chloro-3-(trifluoromethyl)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)	3.89	-4.93	-21.05	1	7	0	101	496.916	5	↓ MOL2 SDF SMILES Flexibase

11998397

Analogs

16701568
16701570

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulf N-[4-chloro-2-(trifluoromethyl)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)	3.89	-4.65	-20.27	1	7	0	101	496.916	5	↓ MOL2 SDF SMILES Flexibase

11998399

Analogs

16663168
16663170
16663172
16701414
16701416

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorophenyl)-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(3,4-dichlorophenyl)-2,6-dimet…

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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)	3.67	-6.95	-20.35	1	7	0	101	463.364	4	↓ MOL2 SDF SMILES Flexibase

11998400

Analogs

16700307
16700309
16700311
16701390
16701392

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide N-(2,4-dichlorophenyl)-2,6-dimet…

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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)	3.67	-6.96	-19.87	1	7	0	101	463.364	4	↓ MOL2 SDF SMILES Flexibase

11998402

Analogs

16701400
16701404
16701406
16701408
16701410

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonami N-(4-chloro-2,5-dimethoxy-phenyl…

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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)	3.03	-6.73	-22.5	1	9	0	119	488.971	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 68444
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 = 68444 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=68444&filter.purchasability=annotated

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<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": "68444"        

    });
</script>

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Structural Results Found: (before additional filtering)

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