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ZINC Item

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49411367

Analogs

Draw Identity 99% 90% 80% 70%

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

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

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

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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-(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

49411417

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-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

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

49411431

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-(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

49411433

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-(4-fluorophenyl)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)	3.73	8.22	-20.19	1	7	0	83	426.473	4	↓ MOL2 SDF SMILES Flexibase

49411435

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-(o-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)	3.97	9.03	-19.25	1	7	0	83	422.51	4	↓ MOL2 SDF SMILES Flexibase

49411437

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-(m-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)	4.00	8.83	-20.03	1	7	0	83	422.51	4	↓ MOL2 SDF SMILES Flexibase

49411439

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[1,1-dioxo-4-(p-tolyl)-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)	4.22	8.67	-21.57	1	7	0	83	442.928	4	↓ MOL2 SDF SMILES Flexibase

49411441

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(2,4-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)	4.40	9.7	-19.3	1	7	0	83	436.537	4	↓ MOL2 SDF SMILES Flexibase

49411443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(2,4-difluorophenyl)-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)	3.83	8.32	-16.67	1	7	0	83	444.463	4	↓ MOL2 SDF SMILES Flexibase

49411445

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-(2-fluorophenyl)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)	3.69	8.26	-17.74	1	7	0	83	426.473	4	↓ MOL2 SDF SMILES Flexibase

49411449

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-(3-fluoro-4-methyl-phenyl)acetami 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)	4.11	8.86	-23.06	1	7	0	83	440.5	4	↓ MOL2 SDF SMILES Flexibase

49411453

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(3,5-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)	4.40	9.49	-19.88	1	7	0	83	436.537	4	↓ MOL2 SDF SMILES Flexibase

49411455

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(4-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)	4.25	8.67	-19.57	1	7	0	83	442.928	4	↓ MOL2 SDF SMILES Flexibase

49411457

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(2,5-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)	4.40	9.7	-19.31	1	7	0	83	436.537	4	↓ MOL2 SDF SMILES Flexibase

49411463

Analogs

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Popular Name: N-(2,5-difluorophenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(2,5-difluorophenyl)-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)	3.83	8.32	-19.1	1	7	0	83	444.463	4	↓ MOL2 SDF SMILES Flexibase

49411465

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-(3-fluorophenyl)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)	3.71	8.22	-22.83	1	7	0	83	426.473	4	↓ MOL2 SDF SMILES Flexibase

49411467

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(2,3-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)	4.37	9.59	-19.46	1	7	0	83	436.537	4	↓ MOL2 SDF SMILES Flexibase

49411480

Analogs

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Popular Name: N-(3-cyanophenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(3-cyanophenyl)-2-[1,1-dioxo-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)	3.30	8.55	-25.38	1	8	0	106	433.493	4	↓ MOL2 SDF SMILES Flexibase

49411488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(3,4-difluorophenyl)-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)	3.83	8.27	-24	1	7	0	83	444.463	4	↓ MOL2 SDF SMILES Flexibase

49411490

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-fluoro-2-methyl-phenyl)acetami 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)	4.11	9.1	-19.58	1	7	0	83	440.5	4	↓ MOL2 SDF SMILES Flexibase

49411500

Analogs

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Popular Name: 2-[4-(3-fluorophenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(3-methoxyphenyl)acetamide 2-[4-(3-fluorophenyl)-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)	3.29	6.79	-19.55	1	8	0	92	442.472	5	↓ MOL2 SDF SMILES Flexibase

49411502

Analogs

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

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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	8.94	-18.44	1	7	0	83	440.5	5	↓ MOL2 SDF SMILES Flexibase

49411504

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	8.07	-17.41	1	7	0	83	446.891	4	↓ MOL2 SDF SMILES Flexibase

49411506

Analogs

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Popular Name: 2-[4-(3-fluorophenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(p-tolyl)acetamide 2-[4-(3-fluorophenyl)-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)	3.71	8.17	-18.67	1	7	0	83	426.473	4	↓ MOL2 SDF SMILES Flexibase

49411508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-fluorophenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(2-methoxyphenyl)acetamide 2-[4-(3-fluorophenyl)-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)	3.27	6.88	-18.83	1	8	0	92	442.472	5	↓ MOL2 SDF SMILES Flexibase

49411510

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.09	8.73	-18.65	1	7	0	83	440.5	4	↓ MOL2 SDF SMILES Flexibase

49411512

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.13	9.13	-18.78	1	7	0	83	440.5	5	↓ MOL2 SDF SMILES Flexibase

49411516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-fluorophenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(4-methoxyphenyl)acetamide 2-[4-(3-fluorophenyl)-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)	3.32	6.79	-19.76	1	8	0	92	442.472	5	↓ MOL2 SDF SMILES Flexibase

49411518

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7.61	-21.07	1	7	0	83	430.436	4	↓ MOL2 SDF SMILES Flexibase

49411520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-fluorophenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(o-tolyl)acetamide 2-[4-(3-fluorophenyl)-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)	3.66	8.35	-19.32	1	7	0	83	426.473	4	↓ MOL2 SDF SMILES Flexibase

49411522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-fluorophenyl)-1,1-dioxo-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(m-tolyl)acetamide 2-[4-(3-fluorophenyl)-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)	3.69	8.17	-18.66	1	7	0	83	426.473	4	↓ MOL2 SDF SMILES Flexibase

49411524

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.92	8.01	-18.14	1	7	0	83	446.891	4	↓ MOL2 SDF SMILES Flexibase

49411526

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.09	9.01	-19.44	1	7	0	83	440.5	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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