ZINC 12

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	8.74	-74.02	2	8	1	88	493.034	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.05	6.31	-23.96	1	8	0	87	492.026	3	↓ MOL2 SDF SMILES Flexibase

24991710

Analogs

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Popular Name: 2,2-dioxo-N-[3-(tetrazol-1-yl)phenyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carb 2,2-dioxo-N-[3-(tetrazol-1-yl)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)	2.29	5.34	-41.41	1	10	0	124	427.471	3	↓ MOL2 SDF SMILES Flexibase

57981811

Analogs

9153968

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Popular Name: N-(3-isobutoxypropyl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamid N-(3-isobutoxypropyl)-2,2-dioxo-…

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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	4.57	-24.53	1	7	0	90	397.522	7	↓ MOL2 SDF SMILES Flexibase

58314619

Analogs

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Popular Name: N-(2-furylmethyl)-2,2-dioxo-N-(2-thienylmethyl)-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiaz N-(2-furylmethyl)-2,2-dioxo-N-(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)	3.48	7.84	-24.87	0	7	0	85	459.574	5	↓ MOL2 SDF SMILES Flexibase

3403301

Analogs

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Popular Name: N-(2-chlorobenzyl)-2,2-diketo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide N-(2-chlorobenzyl)-2,2-diketo-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)	3.78	5.71	-23.58	1	6	0	81	407.904	3	↓ MOL2 SDF SMILES Flexibase

14575146

Analogs

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Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazo N-[(1R)-1-(3,4-difluorophenyl)et…

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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)	3.97	6.3	-25.53	1	6	0	81	423.466	3	↓ MOL2 SDF SMILES Flexibase

14575147

Analogs

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Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazo N-[(1S)-1-(3,4-difluorophenyl)et…

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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)	3.97	6.29	-28.82	1	6	0	81	423.466	3	↓ MOL2 SDF SMILES Flexibase

5199312

Analogs

7608994
18095150
45827221
45827224
49909345

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Popular Name: N-cycloheptyl-dioxo-BLAHcarboxamide N-cycloheptyl-dioxo-BLAHcarboxamide

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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)	4.16	5.37	-24.18	1	6	0	81	379.507	2	↓ MOL2 SDF SMILES Flexibase

5199949

Analogs

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Popular Name: N-(3-ethylphenyl)-dioxo-BLAHcarboxamide N-(3-ethylphenyl)-dioxo-BLAHcarb…

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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)	4.34	6.62	-25.17	1	6	0	81	387.486	3	↓ MOL2 SDF SMILES Flexibase

5199984

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-dioxo-BLAHcarboxamide N-[(4-fluorophenyl)methyl]-dioxo…

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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)	3.31	5.36	-24.48	1	6	0	81	391.449	3	↓ MOL2 SDF SMILES Flexibase

52528158

Analogs

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Popular Name: N-(1-methylpyrazol-3-yl)-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxa N-(1-methylpyrazol-3-yl)-2,2-dio…

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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)	2.02	3.92	-26.46	1	8	0	98	363.424	2	↓ MOL2 SDF SMILES Flexibase

65493320

Analogs

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Popular Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothia N-allyl-N-[(5-chloro-2-thienyl)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)	4.27	7.91	-24.32	0	6	0	72	453.998	5	↓ MOL2 SDF SMILES Flexibase

69950380

Analogs

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Popular Name: N-[2-methyl-3-(tetrazol-1-yl)phenyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazo N-[2-methyl-3-(tetrazol-1-yl)phe…

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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	6.55	-29.29	1	10	0	124	441.498	3	↓ MOL2 SDF SMILES Flexibase

41779008

Analogs

41779009

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Popular Name: 2,2-dioxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiaz 2,2-dioxo-N-[[(2S)-tetrahydrofur…

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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)	2.13	2.57	-23.68	1	7	0	90	367.452	3	↓ MOL2 SDF SMILES Flexibase

41779009

Analogs

41779008

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Popular Name: 2,2-dioxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiaz 2,2-dioxo-N-[[(2R)-tetrahydrofur…

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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)	2.13	2.61	-23.69	1	7	0	90	367.452	3	↓ MOL2 SDF SMILES Flexibase

42049789

Analogs

42049791

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Popular Name: 2,2-dioxo-N-[(1S)-1-(4-pyridyl)ethyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carb 2,2-dioxo-N-[(1S)-1-(4-pyridyl)e…

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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)	2.42	4.38	-26.38	1	7	0	93	388.474	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.42	4.84	-65.65	2	7	1	95	389.482	3	↓ MOL2 SDF SMILES Flexibase

42049791

Analogs

42049789

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Popular Name: 2,2-dioxo-N-[(1R)-1-(4-pyridyl)ethyl]-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carb 2,2-dioxo-N-[(1R)-1-(4-pyridyl)e…

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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)	2.42	4.38	-26.43	1	7	0	93	388.474	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.42	4.83	-65.49	2	7	1	95	389.482	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 95065
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 95065 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', {
        "ring.id": "95065"        

    });
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ZINC 12

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