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ZINC Item

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41644208

Analogs

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Popular Name: (2S)-N-(3,5-dimethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(3,5-dimethoxyphenyl)-2-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)	2.64	4.67	-14.97	2	6	0	77	358.419	4	↓ MOL2 SDF SMILES Flexibase

41644211

Analogs

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Popular Name: (2R)-N-(3,5-dimethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(3,5-dimethoxyphenyl)-2-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)	2.64	6.08	-16.56	2	6	0	77	358.419	4	↓ MOL2 SDF SMILES Flexibase

41644214

Analogs

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Popular Name: (2R)-N-(2-chloro-5-methoxy-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2-chloro-5-methoxy-pheny…

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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)	3.26	5.99	-12.95	2	5	0	67	362.838	3	↓ MOL2 SDF SMILES Flexibase

41644217

Analogs

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Popular Name: (2S)-N-(2-chloro-5-methoxy-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2-chloro-5-methoxy-pheny…

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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)	3.26	7.37	-14.44	2	5	0	67	362.838	3	↓ MOL2 SDF SMILES Flexibase

41644220

Analogs

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Popular Name: (2S)-2-methyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-3-oxo-N-(3,4,5-tri…

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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)	2.23	5.2	-15.86	2	7	0	86	388.445	5	↓ MOL2 SDF SMILES Flexibase

41644223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-(3,4,5-trimethoxyphenyl)-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-3-oxo-N-(3,4,5-tri…

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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)	2.23	6.61	-17.33	2	7	0	86	388.445	5	↓ MOL2 SDF SMILES Flexibase

41644227

Analogs

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Popular Name: (2S)-N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2-cyanophenyl)-2-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)	2.31	6.49	-11.88	2	5	0	82	323.377	2	↓ MOL2 SDF SMILES Flexibase

41644230

Analogs

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Popular Name: (2R)-N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2-cyanophenyl)-2-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)	2.31	7.89	-13.08	2	5	0	82	323.377	2	↓ MOL2 SDF SMILES Flexibase

41644427

Analogs

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Popular Name: (2R)-N-(4-chloro-3-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(4-chloro-3-methyl-phenyl…

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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	8.6	-13.13	2	4	0	58	346.839	2	↓ MOL2 SDF SMILES Flexibase

41644430

Analogs

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Popular Name: (2S)-N-(4-chloro-3-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(4-chloro-3-methyl-phenyl…

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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	7.13	-11.97	2	4	0	58	346.839	2	↓ MOL2 SDF SMILES Flexibase

41645180

Analogs

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Popular Name: (2S)-2-methyl-3-oxo-N-[3-(sulfamoylmethyl)phenyl]-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[3-(sulfam…

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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)	1.33	1.73	-22.51	4	7	0	118	391.474	4	↓ MOL2 SDF SMILES Flexibase

41645183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[3-(sulfamoylmethyl)phenyl]-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[3-(sulfam…

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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)	1.33	3.14	-23.81	4	7	0	118	391.474	4	↓ MOL2 SDF SMILES Flexibase

41645202

Analogs

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Popular Name: (2S)-2-methyl-N-[4-(methylsulfamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-N-[4-(methylsulfam…

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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)	1.67	2.24	-17.86	3	7	0	104	391.474	4	↓ MOL2 SDF SMILES Flexibase

41645205

Analogs

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Popular Name: (2R)-2-methyl-N-[4-(methylsulfamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-N-[4-(methylsulfam…

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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)	1.67	3.65	-19.04	3	7	0	104	391.474	4	↓ MOL2 SDF SMILES Flexibase

41645267

Analogs

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Popular Name: (2R)-N-(5-carbamoyl-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(5-carbamoyl-2-methyl-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)	1.80	5.16	-25.42	4	6	0	101	355.419	3	↓ MOL2 SDF SMILES Flexibase

41645270

Analogs

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Popular Name: (2S)-N-(5-carbamoyl-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(5-carbamoyl-2-methyl-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)	1.80	3.71	-23.37	4	6	0	101	355.419	3	↓ MOL2 SDF SMILES Flexibase

41645285

Analogs

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Popular Name: (2S)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[4-(triflu…

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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)	3.50	7.07	-12.36	2	4	0	58	366.364	3	↓ MOL2 SDF SMILES Flexibase

41645288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[4-(triflu…

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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)	3.50	8.48	-13.67	2	4	0	58	366.364	3	↓ MOL2 SDF SMILES Flexibase

41645291

Analogs

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Popular Name: (2S)-N-(3-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(3-bromophenyl)-2-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)	3.39	6.69	-13.89	2	4	0	58	377.263	2	↓ MOL2 SDF SMILES Flexibase

41645294

Analogs

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Popular Name: (2R)-N-(3-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(3-bromophenyl)-2-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)	3.39	8.1	-14.9	2	4	0	58	377.263	2	↓ MOL2 SDF SMILES Flexibase

41645297

Analogs

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Popular Name: (2R)-N-(5-fluoro-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(5-fluoro-2-methyl-phenyl…

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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)	3.14	8.45	-16.14	2	4	0	58	330.384	2	↓ MOL2 SDF SMILES Flexibase

41645300

Analogs

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Popular Name: (2S)-N-(5-fluoro-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(5-fluoro-2-methyl-phenyl…

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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)	3.14	6.99	-14.55	2	4	0	58	330.384	2	↓ MOL2 SDF SMILES Flexibase

41645315

Analogs

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Popular Name: (2R)-N-(5-chloro-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(5-chloro-2-methyl-phenyl…

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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	8.9	-15.01	2	4	0	58	346.839	2	↓ MOL2 SDF SMILES Flexibase

41645318

Analogs

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Popular Name: (2S)-N-(5-chloro-2-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(5-chloro-2-methyl-phenyl…

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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	7.45	-13.52	2	4	0	58	346.839	2	↓ MOL2 SDF SMILES Flexibase

41645332

Analogs

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Popular Name: (2S)-N-(2,4-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2,4-difluorophenyl)-2-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)	2.86	6.24	-9.36	2	4	0	58	334.347	2	↓ MOL2 SDF SMILES Flexibase

41645335

Analogs

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Popular Name: (2R)-N-(2,4-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2,4-difluorophenyl)-2-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)	2.86	7.64	-10.59	2	4	0	58	334.347	2	↓ MOL2 SDF SMILES Flexibase

41645337

Analogs

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Popular Name: (2S)-N-(2,5-dimethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2,5-dimethoxyphenyl)-2-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)	2.64	4.75	-15.34	2	6	0	77	358.419	4	↓ MOL2 SDF SMILES Flexibase

41645340

Analogs

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Popular Name: (2R)-N-(2,5-dimethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2,5-dimethoxyphenyl)-2-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)	2.64	6.16	-17.13	2	6	0	77	358.419	4	↓ MOL2 SDF SMILES Flexibase

41645343

Analogs

40804136
40804139

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Popular Name: (2R)-N-(2,6-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2,6-dimethylphenyl)-2-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)	2.47	8.99	-13.39	2	4	0	58	326.421	2	↓ MOL2 SDF SMILES Flexibase

41645346

Analogs

40804136
40804139

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Popular Name: (2S)-N-(2,6-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2,6-dimethylphenyl)-2-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)	2.47	7.89	-12.66	2	4	0	58	326.421	2	↓ MOL2 SDF SMILES Flexibase

41645373

Analogs

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Popular Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2-bromo-4-methyl-phenyl)…

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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)	3.79	8.93	-11.89	2	4	0	58	391.29	2	↓ MOL2 SDF SMILES Flexibase

41645376

Analogs

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Popular Name: (2R)-N-(2-bromo-4-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2-bromo-4-methyl-phenyl)…

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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)	3.79	7.46	-10.08	2	4	0	58	391.29	2	↓ MOL2 SDF SMILES Flexibase

41645379

Analogs

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Popular Name: (2R)-N-(2-fluoro-5-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2-fluoro-5-methyl-phenyl…

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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)	3.14	8.27	-12.74	2	4	0	58	330.384	2	↓ MOL2 SDF SMILES Flexibase

41645380

Analogs

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Popular Name: (2S)-N-(2-fluoro-5-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2-fluoro-5-methyl-phenyl…

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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)	3.14	6.82	-11.18	2	4	0	58	330.384	2	↓ MOL2 SDF SMILES Flexibase

41645383

Analogs

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Popular Name: (2R)-N-(2-methoxy-5-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2-methoxy-5-methyl-pheny…

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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)	3.03	7.57	-14.37	2	5	0	67	342.42	3	↓ MOL2 SDF SMILES Flexibase

41645386

Analogs

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Popular Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2-methoxy-5-methyl-pheny…

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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)	3.03	6.12	-12.54	2	5	0	67	342.42	3	↓ MOL2 SDF SMILES Flexibase

41645424

Analogs

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Popular Name: (2S)-N-(2,4-dimethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2,4-dimethoxyphenyl)-2-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)	2.64	4.76	-12.63	2	6	0	77	358.419	4	↓ MOL2 SDF SMILES Flexibase

41645427

Analogs

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Popular Name: (2R)-N-(2,4-dimethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2,4-dimethoxyphenyl)-2-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)	2.64	6.17	-14.02	2	6	0	77	358.419	4	↓ MOL2 SDF SMILES Flexibase

41645430

Analogs

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Popular Name: (2S)-N-(2,5-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(2,5-difluorophenyl)-2-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)	2.86	6.24	-11.81	2	4	0	58	334.347	2	↓ MOL2 SDF SMILES Flexibase

41645433

Analogs

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Popular Name: (2R)-N-(2,5-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(2,5-difluorophenyl)-2-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)	2.86	7.64	-13.01	2	4	0	58	334.347	2	↓ MOL2 SDF SMILES Flexibase

41645436

Analogs

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Popular Name: (2S)-N-(3,4-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(3,4-difluorophenyl)-2-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)	2.86	6.18	-15.72	2	4	0	58	334.347	2	↓ MOL2 SDF SMILES Flexibase

41645439

Analogs

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Popular Name: (2R)-N-(3,4-difluorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(3,4-difluorophenyl)-2-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)	2.86	7.59	-16.45	2	4	0	58	334.347	2	↓ MOL2 SDF SMILES Flexibase

41645452

Analogs

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Popular Name: (2R)-N-(3-fluoro-4-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(3-fluoro-4-methyl-phenyl…

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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)	3.14	8.2	-16.41	2	4	0	58	330.384	2	↓ MOL2 SDF SMILES Flexibase

41645455

Analogs

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Popular Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(3-fluoro-4-methyl-phenyl…

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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)	3.14	6.73	-10.98	2	4	0	58	330.384	2	↓ MOL2 SDF SMILES Flexibase

41645458

Analogs

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Popular Name: (2S)-2-methyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[4-(triflu…

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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	5.84	-13.07	2	5	0	67	382.363	4	↓ MOL2 SDF SMILES Flexibase

41645461

Analogs

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Popular Name: (2R)-2-methyl-3-oxo-N-[4-(trifluoromethoxy)phenyl]-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[4-(triflu…

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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	7.26	-14.47	2	5	0	67	382.363	4	↓ MOL2 SDF SMILES Flexibase

41645470

Analogs

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Popular Name: (2R)-N-(4-bromo-2-chloro-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(4-bromo-2-chloro-phenyl)…

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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)	4.01	7.31	-8.97	2	4	0	58	411.708	2	↓ MOL2 SDF SMILES Flexibase

41645473

Analogs

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Popular Name: (2S)-N-(4-bromo-2-chloro-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(4-bromo-2-chloro-phenyl)…

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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)	4.01	8.69	-10.16	2	4	0	58	411.708	2	↓ MOL2 SDF SMILES Flexibase

41645476

Analogs

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Popular Name: (2S)-N-(4-chloro-2-fluoro-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(4-chloro-2-fluoro-phenyl…

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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)	3.37	6.69	-9.17	2	4	0	58	350.802	2	↓ MOL2 SDF SMILES Flexibase

41645479

Analogs

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Popular Name: (2R)-N-(4-chloro-2-fluoro-phenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(4-chloro-2-fluoro-phenyl…

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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)	3.37	8.09	-10.41	2	4	0	58	350.802	2	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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