ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

35636705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dichloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 5,6-dichloro-1,1-dioxo-3,4-dihyd…

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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)	0.55	-4.75	-16.96	4	7	0	118	332.19	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.55	-5.18	-39.45	3	7	-1	120	331.182	1	↓ MOL2 SDF SMILES Flexibase

19454457

Analogs

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Popular Name: 3-(2-isopropylimidazol-1-yl)-1-(6-methoxy-1,1-dioxo-spiro[2,4-dihydrobenzo[e][1,2,4]thiadiazine-3,4' 3-(2-isopropylimidazol-1-yl)-1-(…

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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)	1.61	4.72	-52.39	3	9	1	107	448.569	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.61	4.27	-24.65	2	9	0	106	447.561	5	↓ MOL2 SDF SMILES Flexibase

12222458

Analogs

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Popular Name: (3R)-2,4-dimethyl-3-(1-methyl-4-piperidyl)-3H-benzo[e][1,2,4]thiadiazine (3R)-2,4-dimethyl-3-(1-methyl-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)	1.94	-5.85	-52.93	1	5	1	45	310.443	1	↓ MOL2 SDF SMILES Flexibase

12222459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-2,4-dimethyl-3-(1-methyl-4-piperidyl)-3H-benzo[e][1,2,4]thiadiazine (3S)-2,4-dimethyl-3-(1-methyl-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)	1.94	-5.71	-52.14	1	5	1	45	310.443	1	↓ MOL2 SDF SMILES Flexibase

12223314

Analogs

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Popular Name: 1'-[(5-methyl-2-furyl)methyl]spiro[2,4-dihydrobenzo[e][1,2,4]thiadiazine-3,4'-piperidine] 1'-[(5-methyl-2-furyl)methyl]spi…

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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)	2.03	4.32	-56.89	3	6	1	76	348.448	2	↓ MOL2 SDF SMILES Flexibase

2094026

Analogs

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Popular Name: 2-benzyl-3-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide 2-benzyl-3-{3-bromo-4-[(4-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)	6.74	-3.87	-19.27	1	6	0	67	599.934	7	↓ MOL2 SDF SMILES Flexibase

2094028

Analogs

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Popular Name: 2-benzyl-3-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide 2-benzyl-3-{3-bromo-4-[(4-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)	6.74	-4	-21.81	1	6	0	67	599.934	7	↓ MOL2 SDF SMILES Flexibase

65515695

Analogs

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Popular Name: (3R)-1,1-dioxo-N-(2-phenoxyethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-3-carboxamide (3R)-1,1-dioxo-N-(2-phenoxyethyl…

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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)	1.44	0.4	-19.05	3	7	0	97	347.396	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.44	0.12	-45.12	2	7	-1	99	346.388	5	↓ MOL2 SDF SMILES Flexibase

65515697

Analogs

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Popular Name: (3S)-1,1-dioxo-N-(2-phenoxyethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-3-carboxamide (3S)-1,1-dioxo-N-(2-phenoxyethyl…

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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)	1.44	0.4	-21.68	3	7	0	97	347.396	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.44	0.12	-47.53	2	7	-1	99	346.388	5	↓ MOL2 SDF SMILES Flexibase

65521696

Analogs

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Popular Name: (3R)-N-[2-(o-tolyl)ethyl]-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-3-carboxamide (3R)-N-[2-(o-tolyl)ethyl]-1,1-di…

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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)	1.96	2.03	-20.99	3	6	0	87	345.424	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	1.74	-43.65	2	6	-1	89	344.416	4	↓ MOL2 SDF SMILES Flexibase

65521700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(o-tolyl)ethyl]-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-3-carboxamide (3S)-N-[2-(o-tolyl)ethyl]-1,1-di…

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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)	1.96	2.03	-21.37	3	6	0	87	345.424	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	1.74	-43.82	2	6	-1	89	344.416	4	↓ MOL2 SDF SMILES Flexibase

67172511

Analogs

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Popular Name: 4-(4-methylphenyl)-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide 4-(4-methylphenyl)-3,4-dihydro-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)	2.15	4.03	-12.27	1	5	0	62	275.333	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.15	3.59	-44.83	0	5	-1	64	274.325	1	↓ MOL2 SDF SMILES Flexibase

67172632

Analogs

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Popular Name: 1'-acetyl-4H-spiro[1,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide 1'-acetyl-4H-spiro[1,2,4-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)	0.52	0.75	-20.23	2	6	0	79	295.364	0	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.52	0.48	-48.51	1	6	-1	81	294.356	0	↓ MOL2 SDF SMILES Flexibase

67172633

Analogs

35481634
35481636
35481638
35481640

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methylphenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide 3-(4-methylphenyl)-3,4-dihydro-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)	2.69	3.69	-13.58	2	4	0	58	274.345	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.69	3.02	-47.13	1	4	-1	60	273.337	1	↓ MOL2 SDF SMILES Flexibase

67172634

Analogs

35481638
35481640

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methylphenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide 3-(4-methylphenyl)-3,4-dihydro-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)	2.69	3.68	-13.53	2	4	0	58	274.345	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.69	3.02	-47.11	1	4	-1	60	273.337	1	↓ MOL2 SDF SMILES Flexibase

67245872

Analogs

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Popular Name: 4-[(4-methoxyphenyl)methyl]-2-(p-tolylmethyl)-3H-pyrido[2,3-e][1,2,4]thiadiazine 4-[(4-methoxyphenyl)methyl]-2-(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)	3.56	9.62	-18.07	0	6	0	63	409.511	5	↓ MOL2 SDF SMILES Flexibase

49411367

Analogs

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Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(4-ethoxyphenyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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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)	3.56	7.65	-20.67	1	8	0	92	438.509	6	↓ MOL2 SDF SMILES Flexibase

49411369

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide N-[(2-chlorophenyl)methyl]-2-(1,…

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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)	3.59	8.01	-17.88	1	7	0	83	442.928	5	↓ MOL2 SDF SMILES Flexibase

49411371

Analogs

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Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(3-methoxyphenyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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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	6.72	-20.42	1	8	0	92	424.482	5	↓ MOL2 SDF SMILES Flexibase

49411373

Analogs

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Popular Name: N-(2-chlorophenyl)-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide N-(2-chlorophenyl)-2-(1,1-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)	3.75	8.1	-17.41	1	7	0	83	428.901	4	↓ MOL2 SDF SMILES Flexibase

49411375

Analogs

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Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(p-tolyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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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)	3.57	8.1	-19.8	1	7	0	83	408.483	4	↓ MOL2 SDF SMILES Flexibase

49411377

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide N-(3-chloro-4-methyl-phenyl)-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)	4.18	8.53	-18.91	1	7	0	83	442.928	4	↓ MOL2 SDF SMILES Flexibase

49411379

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide N-(3,4-dimethylphenyl)-2-(1,1-di…

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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)	3.95	8.66	-19.92	1	7	0	83	422.51	4	↓ MOL2 SDF SMILES Flexibase

49411381

Analogs

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Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(4-methoxyphenyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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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)	3.18	6.72	-20.82	1	8	0	92	424.482	5	↓ MOL2 SDF SMILES Flexibase

49411383

Analogs

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Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(4-fluorophenyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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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)	3.29	7.54	-20.39	1	7	0	83	412.446	4	↓ MOL2 SDF SMILES Flexibase

49411384

Analogs

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Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(m-tolyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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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)	3.55	8.1	-19.74	1	7	0	83	408.483	4	↓ MOL2 SDF SMILES Flexibase

49411386

Analogs

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Popular Name: N-(3-chlorophenyl)-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide N-(3-chlorophenyl)-2-(1,1-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)	3.78	7.99	-21.76	1	7	0	83	428.901	4	↓ MOL2 SDF SMILES Flexibase

49411388

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide N-(5-chloro-2-methyl-phenyl)-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)	4.18	8.8	-22.54	1	7	0	83	442.928	4	↓ MOL2 SDF SMILES Flexibase

49411390

Analogs

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Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-phenyl-acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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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)	3.12	7.42	-19.74	1	7	0	83	394.456	4	↓ MOL2 SDF SMILES Flexibase

49411392

Analogs

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Popular Name: N-benzyl-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-benzyl-2-[1,1-dioxo-4-(p-tolyl…

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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)	3.41	8.27	-17.85	1	7	0	83	422.51	5	↓ MOL2 SDF SMILES Flexibase

49411394

Analogs

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Popular Name: N-cyclohexyl-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-cyclohexyl-2-[1,1-dioxo-4-(p-t…

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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)	3.91	7.96	-18.18	1	7	0	83	414.531	4	↓ MOL2 SDF SMILES Flexibase

49411396

Analogs

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Popular Name: N-butyl-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-butyl-2-[1,1-dioxo-4-(p-tolyl)…

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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	6.75	-18.88	1	7	0	83	388.493	6	↓ MOL2 SDF SMILES Flexibase

49411397

Analogs

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Popular Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]eth 1-(3,4-dihydro-2H-quinolin-1-yl)…

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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)	3.96	10.7	-20.47	0	7	0	74	448.548	3	↓ MOL2 SDF SMILES Flexibase

49411399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-phenethyl-acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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)	3.81	9.04	-20.03	1	7	0	83	436.537	6	↓ MOL2 SDF SMILES Flexibase

49411401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-1-pyrrolidin-1-yl-ethanone 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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)	2.15	7.64	-18.6	0	7	0	74	386.477	3	↓ MOL2 SDF SMILES Flexibase

49411403

Analogs

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Popular Name: ethyl ethyl

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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)	2.64	7.78	-16.63	0	7	0	80	361.423	5	↓ MOL2 SDF SMILES Flexibase

49411405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(3-methoxyphenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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)	3.60	7.45	-23.56	1	8	0	92	438.509	5	↓ MOL2 SDF SMILES Flexibase

49411407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(4-ethylphenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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)	4.49	9.54	-19.57	1	7	0	83	436.537	5	↓ MOL2 SDF SMILES Flexibase

49411409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(2-chlorophenyl)-2-[1,1-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)	4.20	8.77	-17.29	1	7	0	83	442.928	4	↓ MOL2 SDF SMILES Flexibase

49411411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(p-tolyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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)	4.02	8.78	-19.69	1	7	0	83	422.51	4	↓ MOL2 SDF SMILES Flexibase

49411413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(2-methoxyphenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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	7.55	-19.13	1	8	0	92	438.509	5	↓ MOL2 SDF SMILES Flexibase

49411415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[1,1-dioxo-4-(p-tolyl)-3H-pyr…

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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	9.47	-23.33	0	8	0	88	433.493	3	↓ MOL2 SDF SMILES Flexibase

49411417

Analogs

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Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-ethyl-N-phenyl-acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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)	3.83	10.62	-19.46	0	7	0	74	436.537	5	↓ MOL2 SDF SMILES Flexibase

49411419

Analogs

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Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-1-[(2R)-2-ethyl-1-piperidyl]ethanon 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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)	3.52	9.51	-17.68	0	7	0	74	428.558	4	↓ MOL2 SDF SMILES Flexibase

49411421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-1-[(2S)-2-ethyl-1-piperidyl]ethanon 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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)	3.52	9.55	-17.09	0	7	0	74	428.558	4	↓ MOL2 SDF SMILES Flexibase

49411423

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(2-ethylphenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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)	4.44	9.73	-20.42	1	7	0	83	436.537	5	↓ MOL2 SDF SMILES Flexibase

49411425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-methyl-acetamide N-butyl-2-[1,1-dioxo-4-(p-tolyl)…

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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)	3.19	8.83	-19.24	0	7	0	74	402.52	6	↓ MOL2 SDF SMILES Flexibase

49411427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-1-[(2S)-2-methyl-1-piperidyl]ethano 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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)	2.99	8.98	-17.38	0	7	0	74	414.531	3	↓ MOL2 SDF SMILES Flexibase

49411429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-1-[(2R)-2-methyl-1-piperidyl]ethano 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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)	2.99	8.98	-17.02	0	7	0	74	414.531	3	↓ MOL2 SDF SMILES Flexibase

49411431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(4-methoxyphenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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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	7.44	-20.59	1	8	0	92	438.509	5	↓ MOL2 SDF SMILES Flexibase

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