ZINC 12

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12020572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(6-methyl-1,3-benzothiazol-2-y…

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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)	2.74	-4.91	-26.69	1	7	0	96	401.469	3	↓ MOL2 SDF SMILES Flexibase

12020580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(6-methoxy-1,3-benzothiazol-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)	2.35	-5.43	-26.4	1	8	0	106	417.468	4	↓ MOL2 SDF SMILES Flexibase

12020584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(6-chloro-1,3-benzothiazol-2-y…

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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)	2.97	-5.51	-21.04	1	7	0	96	421.887	3	↓ MOL2 SDF SMILES Flexibase

12020587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(6-methylsulfonyl-1,3-benzothi…

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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)	1.16	-9.08	-32.98	1	9	0	131	465.534	4	↓ MOL2 SDF SMILES Flexibase

12021491

Analogs

12021496
12022606

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(6-methyl-1,3-benzothiazol-2-y…

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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)	3.22	-4.84	-25.58	1	7	0	96	415.496	3	↓ MOL2 SDF SMILES Flexibase

12021496

Analogs

12022606
12021491

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(6-methyl-1,3-benzothiazol-2-y…

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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)	3.22	-4.82	-25.1	1	7	0	96	415.496	3	↓ MOL2 SDF SMILES Flexibase

12021502

Analogs

12021506
12022610

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(6-methoxy-1,3-benzothiazol-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)	2.82	-5.14	-24.93	1	8	0	106	431.495	4	↓ MOL2 SDF SMILES Flexibase

12021506

Analogs

12022610
12021502

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(6-methoxy-1,3-benzothiazol-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)	2.82	-5.15	-25.27	1	8	0	106	431.495	4	↓ MOL2 SDF SMILES Flexibase

12021509

Analogs

12021514
12022613

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(6-chloro-1,3-benzothiazol-2-y…

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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)	3.45	-5.31	-23.37	1	7	0	96	435.914	3	↓ MOL2 SDF SMILES Flexibase

12021514

Analogs

12022613
12021509

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(6-chloro-1,3-benzothiazol-2-y…

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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)	3.45	-5.3	-22.89	1	7	0	96	435.914	3	↓ MOL2 SDF SMILES Flexibase

12021518

Analogs

12021523
12022619

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzam N-(6-methylsulfonyl-1,3-benzothi…

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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)	1.64	-8.8	-31.42	1	9	0	131	479.561	4	↓ MOL2 SDF SMILES Flexibase

12021523

Analogs

12022619
12021518

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzam N-(6-methylsulfonyl-1,3-benzothi…

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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)	1.64	-8.79	-31.52	1	9	0	131	479.561	4	↓ MOL2 SDF SMILES Flexibase

12022606

Analogs

12021491
12021496

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide 4-(4,4-dimethyl-1,1,3-trioxo-1,2…

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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)	3.63	-4.42	-24.11	1	7	0	96	429.523	3	↓ MOL2 SDF SMILES Flexibase

12022610

Analogs

12021502
12021506

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide 4-(4,4-dimethyl-1,1,3-trioxo-1,2…

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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)	3.24	-4.74	-23.86	1	8	0	106	445.522	4	↓ MOL2 SDF SMILES Flexibase

12022613

Analogs

12021509
12021514

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(6-chloro-1,3-benzothiazol-2-y…

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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)	3.86	-5.02	-18.6	1	7	0	96	449.941	3	↓ MOL2 SDF SMILES Flexibase

12022619

Analogs

12021518
12021523

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzami 4-(4,4-dimethyl-1,1,3-trioxo-1,2…

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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)	2.05	-8.39	-30.37	1	9	0	131	493.588	4	↓ MOL2 SDF SMILES Flexibase

12023489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide 2-chloro-N-(6-methyl-1,3-benzoth…

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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)	3.35	-5.24	-27.47	1	7	0	96	435.914	3	↓ MOL2 SDF SMILES Flexibase

12023493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide 2-chloro-N-(6-methoxy-1,3-benzot…

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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)	2.95	-5.55	-27.13	1	8	0	106	451.913	4	↓ MOL2 SDF SMILES Flexibase

12023497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide 2-chloro-N-(6-chloro-1,3-benzoth…

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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)	3.58	-5.71	-25.23	1	7	0	96	456.332	3	↓ MOL2 SDF SMILES Flexibase

12023501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide 2-chloro-N-(6-methylsulfonyl-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)	1.77	-9.2	-33.87	1	9	0	131	499.979	4	↓ MOL2 SDF SMILES Flexibase

12024797

Analogs

12024803

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benza 2-chloro-N-(6-methyl-1,3-benzoth…

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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)	3.82	-4.96	-26.57	1	7	0	96	449.941	3	↓ MOL2 SDF SMILES Flexibase

12024803

Analogs

12024797

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benza 2-chloro-N-(6-methyl-1,3-benzoth…

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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)	3.82	-4.74	-26.02	1	7	0	96	449.941	3	↓ MOL2 SDF SMILES Flexibase

12024810

Analogs

12024816

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benz 2-chloro-N-(6-methoxy-1,3-benzot…

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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)	3.43	-5.06	-25.7	1	8	0	106	465.94	4	↓ MOL2 SDF SMILES Flexibase

12024816

Analogs

12024810

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benz 2-chloro-N-(6-methoxy-1,3-benzot…

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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)	3.43	-5.27	-26.23	1	8	0	106	465.94	4	↓ MOL2 SDF SMILES Flexibase

12024819

Analogs

12024823

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benza 2-chloro-N-(6-chloro-1,3-benzoth…

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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)	4.05	-5.56	-20.88	1	7	0	96	470.359	3	↓ MOL2 SDF SMILES Flexibase

12024823

Analogs

12024819

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benza 2-chloro-N-(6-chloro-1,3-benzoth…

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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)	4.05	-5.34	-20.43	1	7	0	96	470.359	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 75405 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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