ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

49402603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: morpholino-[1-(o-tolylmethyl)-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone morpholino-[1-(o-tolylmethyl)-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)	2.06	5.03	-23.53	0	7	0	79	399.472	3	↓ MOL2 SDF SMILES Flexibase

49402607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: morpholino-[1-(m-tolylmethyl)-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]methanone morpholino-[1-(m-tolylmethyl)-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)	2.08	5.68	-22.86	0	7	0	79	399.472	3	↓ MOL2 SDF SMILES Flexibase

49402609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4,4-dioxo-1-(p-tolylmethyl)benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [4,4-dioxo-1-(p-tolylmethyl)benz…

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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)	2.10	5.69	-23	0	7	0	79	399.472	3	↓ MOL2 SDF SMILES Flexibase

49402612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4,4-dioxo-1-[(4-vinylphenyl)methyl]benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [4,4-dioxo-1-[(4-vinylphenyl)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)	2.51	6.09	-23.54	0	7	0	79	411.483	4	↓ MOL2 SDF SMILES Flexibase

49402615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(3-methoxyphenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [1-[(3-methoxyphenyl)methyl]-4,4…

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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)	1.69	4.31	-24.33	0	8	0	89	415.471	4	↓ MOL2 SDF SMILES Flexibase

49402617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(2-fluorophenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [1-[(2-fluorophenyl)methyl]-4,4-…

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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)	1.77	4.84	-21.96	0	7	0	79	403.435	3	↓ MOL2 SDF SMILES Flexibase

49402621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(3,5-difluorophenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [1-[(3,5-difluorophenyl)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)	1.91	4.93	-23.59	0	7	0	79	421.425	3	↓ MOL2 SDF SMILES Flexibase

49402624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(2-chlorophenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [1-[(2-chlorophenyl)methyl]-4,4-…

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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)	2.29	4.88	-21.15	0	7	0	79	419.89	3	↓ MOL2 SDF SMILES Flexibase

49402627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(3-chlorophenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [1-[(3-chlorophenyl)methyl]-4,4-…

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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)	2.31	5.31	-23.07	0	7	0	79	419.89	3	↓ MOL2 SDF SMILES Flexibase

49402630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4-chlorophenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [1-[(4-chlorophenyl)methyl]-4,4-…

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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)	2.33	5.33	-23.21	0	7	0	79	419.89	3	↓ MOL2 SDF SMILES Flexibase

49402633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(3-fluoro-4-methoxy-phenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanon [1-[(3-fluoro-4-methoxy-phenyl)m…

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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)	1.80	4.39	-28.45	0	8	0	89	433.461	4	↓ MOL2 SDF SMILES Flexibase

49402737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-benzyl-7-methyl-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl)-morpholino-methanone (1-benzyl-7-methyl-4,4-dioxo-ben…

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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)	2.08	5.46	-20.65	0	7	0	79	399.472	3	↓ MOL2 SDF SMILES Flexibase

49402740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-methyl-1-(m-tolylmethyl)-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [7-methyl-1-(m-tolylmethyl)-4,4-…

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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)	2.50	6.36	-21.82	0	7	0	79	413.499	3	↓ MOL2 SDF SMILES Flexibase

49402743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-methyl-4,4-dioxo-1-(p-tolylmethyl)benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [7-methyl-4,4-dioxo-1-(p-tolylme…

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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	6.37	-21.91	0	7	0	79	413.499	3	↓ MOL2 SDF SMILES Flexibase

49402748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-methyl-4,4-dioxo-1-[(4-vinylphenyl)methyl]benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [7-methyl-4,4-dioxo-1-[(4-vinylp…

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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)	2.93	6.55	-21.28	0	7	0	79	425.51	4	↓ MOL2 SDF SMILES Flexibase

49402751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(2-fluorophenyl)methyl]-7-methyl-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [1-[(2-fluorophenyl)methyl]-7-me…

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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	5.59	-23.34	0	7	0	79	417.462	3	↓ MOL2 SDF SMILES Flexibase

49402753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(2-chlorophenyl)methyl]-7-methyl-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [1-[(2-chlorophenyl)methyl]-7-me…

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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)	2.71	5.78	-23.51	0	7	0	79	433.917	3	↓ MOL2 SDF SMILES Flexibase

49402757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(3-chlorophenyl)methyl]-7-methyl-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [1-[(3-chlorophenyl)methyl]-7-me…

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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)	2.73	5.98	-21.8	0	7	0	79	433.917	3	↓ MOL2 SDF SMILES Flexibase

49402763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-chloro-1-(o-tolylmethyl)-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [7-chloro-1-(o-tolylmethyl)-4,4-…

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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)	2.71	5.54	-18.95	0	7	0	79	433.917	3	↓ MOL2 SDF SMILES Flexibase

49402766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-chloro-4,4-dioxo-1-(p-tolylmethyl)benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [7-chloro-4,4-dioxo-1-(p-tolylme…

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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)	2.76	6.2	-18.57	0	7	0	79	433.917	3	↓ MOL2 SDF SMILES Flexibase

49402769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-chloro-4,4-dioxo-1-[(4-vinylphenyl)methyl]benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [7-chloro-4,4-dioxo-1-[(4-vinylp…

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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)	3.16	6.61	-19.15	0	7	0	79	445.928	4	↓ MOL2 SDF SMILES Flexibase

49402772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-chloro-1-[(3-methoxyphenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [7-chloro-1-[(3-methoxyphenyl)me…

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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)	2.34	4.83	-19.64	0	8	0	89	449.916	4	↓ MOL2 SDF SMILES Flexibase

49402775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[7-chloro-3-(morpholine-4-carbonyl)-4,4-dioxo-benzo[e][1,3,4]thiadiazin-1-yl]methyl]benzonitrile 3-[[7-chloro-3-(morpholine-4-car…

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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	5.92	-23.4	0	8	0	103	444.9	3	↓ MOL2 SDF SMILES Flexibase

49402779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-chloro-1-[(3-fluorophenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [7-chloro-1-[(3-fluorophenyl)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)	2.45	5.6	-20.1	0	7	0	79	437.88	3	↓ MOL2 SDF SMILES Flexibase

49402782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [7-chloro-1-[(4-fluorophenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methanone [7-chloro-1-[(4-fluorophenyl)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)	2.47	5.6	-21.01	0	7	0	79	437.88	3	↓ MOL2 SDF SMILES Flexibase

49402784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-chloro-1-[(2,5-dimethylphenyl)methyl]-4,4-dioxo-benzo[e][1,3,4]thiadiazin-3-yl]-morpholino-methan [6-chloro-1-[(2,5-dimethylphenyl…

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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)	3.13	6.17	-22.63	0	7	0	79	447.944	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 563007
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 = 563007 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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