ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.05	6.77	-9.19	2	3	0	46	298.411	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.05	7.04	-51.09	3	3	1	48	299.419	2	↓ MOL2 SDF SMILES Flexibase

52882742

Analogs

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Popular Name: (2S)-2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-phenyl-propan-1-one (2S)-2-amino-1-(2,3-dihydro-1,4-…

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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)	3.05	7.03	-7.56	2	3	0	46	298.411	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.05	7.12	-50.89	3	3	1	48	299.419	2	↓ MOL2 SDF SMILES Flexibase

52922872

Analogs

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Popular Name: 2-(3-aminophenyl)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone 2-(3-aminophenyl)-1-(2,3-dihydro…

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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)	2.46	7.46	-11.76	2	3	0	46	284.384	2	↓ MOL2 SDF SMILES Flexibase

52944149

Analogs

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Popular Name: 1-(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-chlorophenyl)ethanone 1-(6-amino-2,3-dihydro-1,4-benzo…

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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	7.95	-12.02	2	3	0	46	318.829	2	↓ MOL2 SDF SMILES Flexibase

53300221

Analogs

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Popular Name: 4-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine 4-[(2,4,6-trimethylphenyl)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)	3.94	8.79	-6.35	2	2	0	29	298.455	2	↓ MOL2 SDF SMILES Flexibase

17978635

Analogs

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Popular Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] [2-oxo-2-[(3S)-3-phenyl-2,3-dihy…

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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)	4.28	12.32	-14.79	0	6	0	81	481.595	7	↓ MOL2 SDF SMILES Flexibase

17978637

Analogs

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Popular Name: [2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] [2-oxo-2-[(3R)-3-phenyl-2,3-dihy…

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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)	4.28	12.3	-14.91	0	6	0	81	481.595	7	↓ MOL2 SDF SMILES Flexibase

17978958

Analogs

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Popular Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] [2-oxo-2-[(3S)-3-phenyl-2,3-dihy…

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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	13.19	-22.81	1	7	0	103	487.581	7	↓ MOL2 SDF SMILES Flexibase

17978960

Analogs

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Popular Name: [2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] [2-oxo-2-[(3R)-3-phenyl-2,3-dihy…

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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	13.19	-22.97	1	7	0	103	487.581	7	↓ MOL2 SDF SMILES Flexibase

17983915

Analogs

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Popular Name: 2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothi 2-[[5-(2-furylmethylamino)-1,3,4…

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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)	4.77	11.55	-9.73	1	6	0	71	480.64	7	↓ MOL2 SDF SMILES Flexibase

17983918

Analogs

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Popular Name: 2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothi 2-[[5-(2-furylmethylamino)-1,3,4…

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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)	4.77	11.57	-9.67	1	6	0	71	480.64	7	↓ MOL2 SDF SMILES Flexibase

17990240

Analogs

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Popular Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] [2-oxo-2-[(3S)-3-phenyl-2,3-dihy…

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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)	3.93	13.43	-12.97	0	7	0	76	488.565	7	↓ MOL2 SDF SMILES Flexibase

17990244

Analogs

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Popular Name: [2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] [2-oxo-2-[(3R)-3-phenyl-2,3-dihy…

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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)	3.93	13.43	-12.64	0	7	0	76	488.565	7	↓ MOL2 SDF SMILES Flexibase

18965139

Analogs

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Popular Name: 3-cyclopropyl-2-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]sulfanyl-quinazolin- 3-cyclopropyl-2-[2-oxo-2-[(3S)-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.21	14.9	-11.67	0	5	0	55	485.634	5	↓ MOL2 SDF SMILES Flexibase

18965140

Analogs

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Popular Name: 3-cyclopropyl-2-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]sulfanyl-quinazolin- 3-cyclopropyl-2-[2-oxo-2-[(3R)-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.21	14.97	-11.89	0	5	0	55	485.634	5	↓ MOL2 SDF SMILES Flexibase

18965909

Analogs

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Popular Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] [2-oxo-2-[(3S)-3-phenyl-2,3-dihy…

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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)	4.89	13.6	-15.05	0	6	0	73	444.512	6	↓ MOL2 SDF SMILES Flexibase

18965910

Analogs

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Popular Name: [2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] [2-oxo-2-[(3R)-3-phenyl-2,3-dihy…

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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)	4.89	13.6	-15.1	0	6	0	73	444.512	6	↓ MOL2 SDF SMILES Flexibase

11812420

Analogs

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Popular Name: 10-thia-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-ylcarbonylmethyl 10-thia-7-azabicyclo[4.4.0]deca-…

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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)	2.22	0.71	-14.74	1	6	0	76	384.457	5	↓ MOL2 SDF SMILES Flexibase

11830974

Analogs

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Popular Name: 10-thia-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-ylcarbonylmethyl 10-thia-7-azabicyclo[4.4.0]deca-…

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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)	3.53	-0.09	-12.09	1	5	0	62	352.415	4	↓ MOL2 SDF SMILES Flexibase

36137159

Analogs

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Popular Name: (2-aminophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (2-aminophenyl)-(2,3-dihydro-1,4…

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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)	2.76	6.51	-7.95	2	3	0	46	270.357	1	↓ MOL2 SDF SMILES Flexibase

36137443

Analogs

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Popular Name: (2R)-4-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-isopropyl-2-methyl-4-oxo-butanoic (2R)-4-(2,3-dihydro-1,4-benzothi…

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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)	2.19	9.68	-58.26	0	4	-1	60	306.407	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.19	7.39	-7.92	1	4	0	58	307.415	4	↓ MOL2 SDF SMILES Flexibase

36137446

Analogs

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Popular Name: (2S)-4-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-isopropyl-2-methyl-4-oxo-butanoic (2S)-4-(2,3-dihydro-1,4-benzothi…

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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)	2.19	9.69	-59.15	0	4	-1	60	306.407	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.19	7.8	-13.55	1	4	0	58	307.415	4	↓ MOL2 SDF SMILES Flexibase

36137448

Analogs

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Popular Name: 1-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-(2,3-dihydro-1,4-benzothiaz…

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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	10.12	-60.43	0	4	-1	60	304.391	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.94	8.3	-12.12	1	4	0	58	305.399	3	↓ MOL2 SDF SMILES Flexibase

36137450

Analogs

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Popular Name: 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-2,2-diethyl-4-oxo-butanoic 4-(2,3-dihydro-1,4-benzothiazin-…

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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)	2.28	9.8	-59.84	0	4	-1	60	306.407	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.28	7.47	-7.73	1	4	0	58	307.415	5	↓ MOL2 SDF SMILES Flexibase

36137451

Analogs

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Popular Name: 6-(2,3-dihydro-1,4-benzothiazin-4-yl)-6-oxo-hexanoic 6-(2,3-dihydro-1,4-benzothiazin-…

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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)	1.74	8.86	-49.14	0	4	-1	60	278.353	5	↓ MOL2 SDF SMILES Flexibase

36137453

Analogs

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Popular Name: 2-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)benzoic 2-(2,3-dihydro-1,4-benzothiazine…

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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)	2.84	9.7	-63.04	0	4	-1	60	298.343	2	↓ MOL2 SDF SMILES Flexibase

36137455

Analogs

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Popular Name: (1S,6R)-6-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)cyclohex-3-ene-1-carboxylic (1S,6R)-6-(2,3-dihydro-1,4-benzo…

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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)	2.52	9.18	-56.99	0	4	-1	60	302.375	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.52	7.53	-12.85	1	4	0	58	303.383	2	↓ MOL2 SDF SMILES Flexibase

36137457

Analogs

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Popular Name: (1S,6S)-6-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)cyclohex-3-ene-1-carboxylic (1S,6S)-6-(2,3-dihydro-1,4-benzo…

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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)	2.52	9.88	-58.44	0	4	-1	60	302.375	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.52	7.73	-12.67	1	4	0	58	303.383	2	↓ MOL2 SDF SMILES Flexibase

36137459

Analogs

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Popular Name: (1R,6R)-6-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)cyclohex-3-ene-1-carboxylic (1R,6R)-6-(2,3-dihydro-1,4-benzo…

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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)	2.52	9.4	-59.25	0	4	-1	60	302.375	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.52	7.94	-12.34	1	4	0	58	303.383	2	↓ MOL2 SDF SMILES Flexibase

36137461

Analogs

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Popular Name: (1R,6S)-6-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)cyclohex-3-ene-1-carboxylic (1R,6S)-6-(2,3-dihydro-1,4-benzo…

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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)	2.52	9.3	-51.9	0	4	-1	60	302.375	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.52	7.35	-11.46	1	4	0	58	303.383	2	↓ MOL2 SDF SMILES Flexibase

36137463

Analogs

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Popular Name: (1S,2R)-2-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)cyclohexanecarboxylic (1S,2R)-2-(2,3-dihydro-1,4-benzo…

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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)	3.01	9.19	-58.32	0	4	-1	60	304.391	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.01	7.72	-13.42	1	4	0	58	305.399	2	↓ MOL2 SDF SMILES Flexibase

36137466

Analogs

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Popular Name: (1S,2S)-2-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)cyclohexanecarboxylic (1S,2S)-2-(2,3-dihydro-1,4-benzo…

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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)	3.01	9.91	-57.23	0	4	-1	60	304.391	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.01	7.36	-12.86	1	4	0	58	305.399	2	↓ MOL2 SDF SMILES Flexibase

36137468

Analogs

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Popular Name: (1R,2R)-2-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)cyclohexanecarboxylic (1R,2R)-2-(2,3-dihydro-1,4-benzo…

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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)	3.01	9.46	-59.29	0	4	-1	60	304.391	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.01	7.7	-12.42	1	4	0	58	305.399	2	↓ MOL2 SDF SMILES Flexibase

36137471

Analogs

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Popular Name: (1R,2S)-2-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)cyclohexanecarboxylic (1R,2S)-2-(2,3-dihydro-1,4-benzo…

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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)	3.01	9.75	-55.98	0	4	-1	60	304.391	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.01	7.41	-13.19	1	4	0	58	305.399	2	↓ MOL2 SDF SMILES Flexibase

36137474

Analogs

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Popular Name: 5-(2,3-dihydro-1,4-benzothiazin-4-yl)-5-oxo-pentanoic 5-(2,3-dihydro-1,4-benzothiazin-…

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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)	1.23	8.08	-54.37	0	4	-1	60	264.326	4	↓ MOL2 SDF SMILES Flexibase

36145989

Analogs

36145991

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Popular Name: 1-[(2S)-6-(4-ethylpiperazin-1-yl)sulfonyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone 1-[(2S)-6-(4-ethylpiperazin-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)	1.57	4.66	-16.88	0	6	0	61	383.539	3	↓ MOL2 SDF SMILES Flexibase

36145991

Analogs

36145989

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Popular Name: 1-[(2R)-6-(4-ethylpiperazin-1-yl)sulfonyl-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone 1-[(2R)-6-(4-ethylpiperazin-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)	1.57	4.75	-15.47	0	6	0	61	383.539	3	↓ MOL2 SDF SMILES Flexibase

36155542

Analogs

36155545
9118721
9118722

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Popular Name: methyl-(4-methylpiperazin-1-yl)sulfonyl-BLAHone methyl-(4-methylpiperazin-1-yl)s…

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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)	1.12	3.35	-10.05	0	6	0	61	367.496	2	↓ MOL2 SDF SMILES Flexibase

36155545

Analogs

36155542
9118721
9118722

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-(4-methylpiperazin-1-yl)sulfonyl-BLAHone methyl-(4-methylpiperazin-1-yl)s…

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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)	1.12	3.33	-10.15	0	6	0	61	367.496	2	↓ MOL2 SDF SMILES Flexibase

71790258

Analogs

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Popular Name: 1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazine 1,3-dimethyl-1H,4H,5H,6H-pyrazol…

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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)	0.98	2.41	-7.73	1	3	0	30	169.253	0	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.98	2.53	-25.02	2	3	1	31	170.261	0	↓ MOL2 SDF SMILES Flexibase

21528048

Analogs

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Popular Name: methyl-pyrrolidin-1-ylsulfonyl-BLAHone methyl-pyrrolidin-1-ylsulfonyl-B…

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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	5.23	-10.68	0	5	0	58	338.454	2	↓ MOL2 SDF SMILES Flexibase

21528050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-pyrrolidin-1-ylsulfonyl-BLAHone methyl-pyrrolidin-1-ylsulfonyl-B…

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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	5.31	-10.87	0	5	0	58	338.454	2	↓ MOL2 SDF SMILES Flexibase

21531131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-(3-chlorophenyl)-2,3-dihydropy…

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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	7	-13.86	1	4	0	45	305.79	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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