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ZINC Item

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37072985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2,5-difluorophenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(2,5-difluorophenyl)methylami…

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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)	2.85	6.24	-7.47	2	3	0	41	306.337	3	↓ MOL2 SDF SMILES Flexibase

37072993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2,3-dichlorophenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(2,3-dichlorophenyl)methylami…

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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)	3.86	7.05	-8.38	2	3	0	41	339.247	3	↓ MOL2 SDF SMILES Flexibase

37072994

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2,4-dimethylphenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(2,4-dimethylphenyl)methylami…

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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)	3.42	7.52	-6.47	2	3	0	41	298.411	3	↓ MOL2 SDF SMILES Flexibase

37072995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-bromo-2-fluoro-phenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(5-bromo-2-fluoro-phenyl)meth…

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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	6.79	-7	2	3	0	41	367.243	3	↓ MOL2 SDF SMILES Flexibase

37072996

Analogs

43479099

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4-hydroxyphenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(4-hydroxyphenyl)methylamino]…

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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)	2.12	3.28	-8.65	3	4	0	61	286.356	3	↓ MOL2 SDF SMILES Flexibase

37072997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(4-methoxyphenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(4-methoxyphenyl)methylamino]…

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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)	2.65	5.44	-8.18	2	4	0	50	300.383	4	↓ MOL2 SDF SMILES Flexibase

37072998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2,4-difluorophenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(2,4-difluorophenyl)methylami…

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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)	2.85	6.24	-8.27	2	3	0	41	306.337	3	↓ MOL2 SDF SMILES Flexibase

37072999

Analogs

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Popular Name: 6-[(4-ethylphenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(4-ethylphenyl)methylamino]-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)	3.51	7.58	-6.37	2	3	0	41	298.411	4	↓ MOL2 SDF SMILES Flexibase

37073000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2,6-difluorophenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(2,6-difluorophenyl)methylami…

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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)	2.83	6.18	-7.69	2	3	0	41	306.337	3	↓ MOL2 SDF SMILES Flexibase

37073028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3,4-dihydroxyphenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(3,4-dihydroxyphenyl)methylam…

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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)	1.63	1.21	-11.17	4	5	0	82	302.355	3	↓ MOL2 SDF SMILES Flexibase

37073032

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2-hydroxyphenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(2-hydroxyphenyl)methylamino]…

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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)	2.54	3.33	-7.92	3	4	0	61	286.356	3	↓ MOL2 SDF SMILES Flexibase

37073033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(4-bromophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(4-bromophenyl)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)	3.96	7.51	-7.45	2	3	0	41	363.28	3	↓ MOL2 SDF SMILES Flexibase

37073034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(4-bromophenyl)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)	3.96	7.5	-7.51	2	3	0	41	363.28	3	↓ MOL2 SDF SMILES Flexibase

37073035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(4-chlorophenyl)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)	3.83	7.4	-7.54	2	3	0	41	318.829	3	↓ MOL2 SDF SMILES Flexibase

37073036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(4-chlorophenyl)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)	3.83	7.39	-7.56	2	3	0	41	318.829	3	↓ MOL2 SDF SMILES Flexibase

37073039

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(3-chlorophenyl)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)	3.81	7.39	-7.33	2	3	0	41	318.829	3	↓ MOL2 SDF SMILES Flexibase

37073040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(3-chlorophenyl)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)	3.81	7.39	-7.3	2	3	0	41	318.829	3	↓ MOL2 SDF SMILES Flexibase

37073041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2,4-dihydroxyphenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(2,4-dihydroxyphenyl)methylam…

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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	0.46	-9.96	4	5	0	82	302.355	3	↓ MOL2 SDF SMILES Flexibase

37073048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3-hydroxyphenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(3-hydroxyphenyl)methylamino]…

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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)	2.09	3.29	-8.59	3	4	0	61	286.356	3	↓ MOL2 SDF SMILES Flexibase

37073070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3-bromo-4-fluoro-phenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(3-bromo-4-fluoro-phenyl)meth…

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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	6.8	-9.17	2	3	0	41	367.243	3	↓ MOL2 SDF SMILES Flexibase

37073071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(4-hydroxyphenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(4-hydroxyphenyl)ethy…

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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)	2.68	4.03	-8.78	3	4	0	61	300.383	3	↓ MOL2 SDF SMILES Flexibase

37073072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(4-hydroxyphenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(4-hydroxyphenyl)ethy…

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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)	2.68	4.02	-8.84	3	4	0	61	300.383	3	↓ MOL2 SDF SMILES Flexibase

37073075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(o-tolyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(o-tolyl)ethyl]amino]…

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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	7.37	-6.94	2	3	0	41	298.411	3	↓ MOL2 SDF SMILES Flexibase

37073076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(o-tolyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(o-tolyl)ethyl]amino]…

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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	7.45	-6.97	2	3	0	41	298.411	3	↓ MOL2 SDF SMILES Flexibase

37073085

Analogs

35019523
35019525

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(p-tolyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(p-tolyl)ethyl]amino]…

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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	7.55	-6.71	2	3	0	41	298.411	3	↓ MOL2 SDF SMILES Flexibase

37073086

Analogs

35019523
35019525

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(p-tolyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(p-tolyl)ethyl]amino]…

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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	7.55	-6.76	2	3	0	41	298.411	3	↓ MOL2 SDF SMILES Flexibase

37073087

Analogs

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Popular Name: 6-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(2-fluorophenyl)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)	3.27	6.96	-7.5	2	3	0	41	302.374	3	↓ MOL2 SDF SMILES Flexibase

37073088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(2-fluorophenyl)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)	3.27	6.96	-7.53	2	3	0	41	302.374	3	↓ MOL2 SDF SMILES Flexibase

37073090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(2-bromophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(2-bromophenyl)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)	3.92	7.42	-6.99	2	3	0	41	363.28	3	↓ MOL2 SDF SMILES Flexibase

37073091

Analogs

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Popular Name: 6-[[(1R)-1-(2-bromophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(2-bromophenyl)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)	3.92	7.38	-7.02	2	3	0	41	363.28	3	↓ MOL2 SDF SMILES Flexibase

37073099

Analogs

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Popular Name: 6-[[(1S)-1-(3-bromophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(3-bromophenyl)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)	3.94	7.5	-7.33	2	3	0	41	363.28	3	↓ MOL2 SDF SMILES Flexibase

37073100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(3-bromophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(3-bromophenyl)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)	3.94	7.49	-7.33	2	3	0	41	363.28	3	↓ MOL2 SDF SMILES Flexibase

37073103

Analogs

43479099

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5-chloro-2-hydroxy-phenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(5-chloro-2-hydroxy-phenyl)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)	3.19	3.84	-8.29	3	4	0	61	320.801	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.19	4.6	-36.59	2	4	-1	64	319.793	3	↓ MOL2 SDF SMILES Flexibase

37073104

Analogs

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Popular Name: 6-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(3-hydroxyphenyl)ethy…

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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)	2.65	4.02	-8.57	3	4	0	61	300.383	3	↓ MOL2 SDF SMILES Flexibase

37073105

Analogs

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Popular Name: 6-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(3-hydroxyphenyl)ethy…

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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)	2.65	4.02	-8.74	3	4	0	61	300.383	3	↓ MOL2 SDF SMILES Flexibase

37073106

Analogs

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Popular Name: 6-[[(1S)-1-phenylpropyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-phenylpropyl]amino]-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)	3.66	7.23	-6.66	2	3	0	41	298.411	4	↓ MOL2 SDF SMILES Flexibase

37073107

Analogs

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Popular Name: 6-[[(1R)-1-phenylpropyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-phenylpropyl]amino]-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)	3.66	7.87	-6.73	2	3	0	41	298.411	4	↓ MOL2 SDF SMILES Flexibase

37073110

Analogs

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Popular Name: 6-[[(1S)-1-(2-hydroxyphenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(2-hydroxyphenyl)ethy…

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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)	3.10	4.14	-8.35	3	4	0	61	300.383	3	↓ MOL2 SDF SMILES Flexibase

37073111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(2-hydroxyphenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(2-hydroxyphenyl)ethy…

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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)	3.10	4.13	-8.13	3	4	0	61	300.383	3	↓ MOL2 SDF SMILES Flexibase

37073126

Analogs

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Popular Name: 6-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(3-fluorophenyl)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)	3.29	6.95	-7.97	2	3	0	41	302.374	3	↓ MOL2 SDF SMILES Flexibase

37073127

Analogs

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Popular Name: 6-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(3-fluorophenyl)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)	3.29	6.95	-8	2	3	0	41	302.374	3	↓ MOL2 SDF SMILES Flexibase

57998104

Analogs

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Popular Name: 6-[(3-bromo-4-hydroxy-phenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(3-bromo-4-hydroxy-phenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	3.95	-9.23	3	4	0	61	365.252	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.11	4.72	-41.33	2	4	-1	64	364.244	3	↓ MOL2 SDF SMILES Flexibase

48796369

Analogs

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Popular Name: 6-[(3-bromo-2-hydroxy-phenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(3-bromo-2-hydroxy-phenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	4	-8.89	3	4	0	61	365.252	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.09	4.74	-37.31	2	4	-1	64	364.244	3	↓ MOL2 SDF SMILES Flexibase

37302759

Analogs

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Popular Name: 6-[[(1S)-1-(4-iodophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(4-iodophenyl)ethyl]a…

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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)	4.24	7.98	-7.28	2	3	0	41	410.28	3	↓ MOL2 SDF SMILES Flexibase

37302761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R)-1-(4-iodophenyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(4-iodophenyl)ethyl]a…

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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)	4.24	7.98	-7.31	2	3	0	41	410.28	3	↓ MOL2 SDF SMILES Flexibase

37302793

Analogs

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Popular Name: 6-[[(1R)-1-(m-tolyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1R)-1-(m-tolyl)ethyl]amino]…

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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	7.54	-6.68	2	3	0	41	298.411	3	↓ MOL2 SDF SMILES Flexibase

37302795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S)-1-(m-tolyl)ethyl]amino]-4H-1,4-benzothiazin-3-one 6-[[(1S)-1-(m-tolyl)ethyl]amino]…

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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	-6.69	2	3	0	41	298.411	3	↓ MOL2 SDF SMILES Flexibase

37302799

Analogs

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Popular Name: 6-[(3,4-dimethylphenyl)methylamino]-4H-1,4-benzothiazin-3-one 6-[(3,4-dimethylphenyl)methylami…

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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)	3.42	7.36	-6.56	2	3	0	41	298.411	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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