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)	0.29	1.78	-45.86	4	5	1	89	288.78	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.29	2.83	-11.73	3	5	0	87	287.772	2	↓ MOL2 SDF SMILES Flexibase

52860559

Analogs

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Popular Name: 5-chloro-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-benzamidine 5-chloro-2-(1,1-dioxo-1,4-thiazi…

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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)	0.22	0.79	-15.29	3	6	0	96	303.771	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.22	0.66	-46.43	4	6	1	98	304.779	2	↓ MOL2 SDF SMILES Flexibase

52904451

Analogs

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Popular Name: 2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-benzamidine 2-chloro-6-(1,1-dioxo-1,4-thiazi…

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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)	0.20	0.26	-15.33	3	6	0	96	303.771	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.20	0.28	-43.52	4	6	1	98	304.779	2	↓ MOL2 SDF SMILES Flexibase

52905083

Analogs

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Popular Name: 2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)benzamidine 2-chloro-6-(1,1-dioxo-1,4-thiazi…

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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)	0.27	1.41	-42.26	4	5	1	89	288.78	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.27	1.42	-14.21	3	5	0	87	287.772	2	↓ MOL2 SDF SMILES Flexibase

52905140

Analogs

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Popular Name: 2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)benzenecarbothioamide 2-chloro-6-(1,1-dioxo-1,4-thiazi…

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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)	1.68	3.28	-20.71	2	4	0	63	304.824	2	↓ MOL2 SDF SMILES Flexibase

52908774

Analogs

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Popular Name: 2-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)benzonitrile 2-chloro-6-(1,1-dioxo-1,4-thiazi…

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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)	1.64	4.44	-17.38	0	4	0	61	270.741	1	↓ MOL2 SDF SMILES Flexibase

36158391

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoro-benzonitrile 2-(1,1-dioxo-1,4-thiazinan-4-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)	1.12	4.06	-18.3	0	4	0	61	254.286	1	↓ MOL2 SDF SMILES Flexibase

36158737

Analogs

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Popular Name: [2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoro-phenyl]methanamine [2-(1,1-dioxo-1,4-thiazinan-4-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)	0.55	1.81	-53.44	3	4	1	65	259.326	2	↓ MOL2 SDF SMILES Flexibase

36159418

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoro-benzenecarbothioamide 2-(1,1-dioxo-1,4-thiazinan-4-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)	1.17	3.05	-17.89	2	4	0	63	288.369	2	↓ MOL2 SDF SMILES Flexibase

36159504

Analogs

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Popular Name: [4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)phenyl]methanamine [4-(1,1-dioxo-1,4-thiazinan-4-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)	1.31	1.94	-59.23	3	4	1	65	309.333	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.31	1.69	-13.52	2	4	0	63	308.325	3	↓ MOL2 SDF SMILES Flexibase

36159510

Analogs

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Popular Name: [2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-(trifluoromethyl)phenyl]methanamine [2-(1,1-dioxo-1,4-thiazinan-4-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)	1.31	2.77	-61.09	3	4	1	65	309.333	3	↓ MOL2 SDF SMILES Flexibase

36160402

Analogs

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Popular Name: 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,N-dimethyl-benzenesulfonamide 3-amino-4-(1,1-dioxo-1,4-thiazin…

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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)	0.03	-0.28	-17.39	2	7	0	101	333.435	3	↓ MOL2 SDF SMILES Flexibase

36161170

Analogs

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Popular Name: 3-chloro-2-(1,1-dioxo-1,4-thiazinan-4-yl)aniline 3-chloro-2-(1,1-dioxo-1,4-thiazi…

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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)	1.37	2.71	-10.55	2	4	0	63	260.746	1	↓ MOL2 SDF SMILES Flexibase

36161176

Analogs

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Popular Name: 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-aniline 4-(1,1-dioxo-1,4-thiazinan-4-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)	1.16	1.61	-11.44	2	4	0	63	240.328	1	↓ MOL2 SDF SMILES Flexibase

36161179

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylsulfonyl-aniline 2-(1,1-dioxo-1,4-thiazinan-4-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)	-0.42	-0.72	-19.19	2	6	0	98	304.393	2	↓ MOL2 SDF SMILES Flexibase

36161185

Analogs

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Popular Name: 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-benzenesulfonamide 3-amino-4-(1,1-dioxo-1,4-thiazin…

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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)	-0.22	-2.1	-17.81	3	7	0	110	319.408	3	↓ MOL2 SDF SMILES Flexibase

36161197

Analogs

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Popular Name: 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide 3-amino-4-(1,1-dioxo-1,4-thiazin…

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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)	-0.47	-1.49	-17.38	4	6	0	106	269.326	2	↓ MOL2 SDF SMILES Flexibase

36161247

Analogs

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Popular Name: 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzenesulfonamide 3-amino-4-(1,1-dioxo-1,4-thiazin…

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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)	-0.59	-3.32	-18.5	4	7	0	124	305.381	2	↓ MOL2 SDF SMILES Flexibase

36161260

Analogs

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Popular Name: 3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)benzonitrile 3-amino-4-(1,1-dioxo-1,4-thiazin…

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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)	0.47	2.13	-14.24	2	5	0	87	251.311	1	↓ MOL2 SDF SMILES Flexibase

36161264

Analogs

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Popular Name: 4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-aniline 4-(1,1-dioxo-1,4-thiazinan-4-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)	0.47	1.36	-12.24	2	4	0	63	244.291	1	↓ MOL2 SDF SMILES Flexibase

36161863

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-benzamidine 2-(1,1-dioxo-1,4-thiazinan-4-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)	-0.43	1.26	-13.4	3	6	0	96	269.326	2	↓ MOL2 SDF SMILES Flexibase

36161865

Analogs

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Popular Name: 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-benzamidine 4-(1,1-dioxo-1,4-thiazinan-4-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)	-0.38	-0.14	-16.24	3	6	0	96	269.326	2	↓ MOL2 SDF SMILES Flexibase

36161898

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)benzamidine 2-(1,1-dioxo-1,4-thiazinan-4-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)	-0.36	1.26	-43.04	4	5	1	89	254.335	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.36	2.3	-12.05	3	5	0	87	253.327	2	↓ MOL2 SDF SMILES Flexibase

36161901

Analogs

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Popular Name: 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)benzamidine 4-(1,1-dioxo-1,4-thiazinan-4-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)	0.51	1.28	-43.11	4	5	1	89	322.332	3	↓ MOL2 SDF SMILES Flexibase

36161913

Analogs

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Popular Name: 4-(1,1-dioxo-1$l^{6},4-thiomorpholin-4-yl)benzene-1-carboximidamide hydrochloride 4-(1,1-dioxo-1$l^{6},4-thiomorph…

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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)	-0.31	0.84	-42.92	4	5	1	89	254.335	2	↓ MOL2 SDF SMILES Flexibase

36161915

Analogs

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Popular Name: 2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-(trifluoromethyl)benzamidine 2-(1,1-dioxo-1,4-thiazinan-4-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)	0.51	2.27	-48.36	4	5	1	89	322.332	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.51	3.36	-14.6	3	5	0	87	321.324	3	↓ MOL2 SDF SMILES Flexibase

36161997

Analogs

49691886

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Popular Name: 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-nitro-phenyl]ethanone 1-[4-(1,1-dioxo-1,4-thiazinan-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.09	5.16	-24.66	0	7	0	100	298.32	3	↓ MOL2 SDF SMILES Flexibase

36162000

Analogs

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Popular Name: 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-phenyl]ethanone 1-[4-(1,1-dioxo-1,4-thiazinan-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.29	3.92	-18.23	0	4	0	54	271.313	2	↓ MOL2 SDF SMILES Flexibase

36162002

Analogs

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Popular Name: 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoro-phenyl]ethanone 1-[2-(1,1-dioxo-1,4-thiazinan-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.29	4.69	-13.93	0	4	0	54	271.313	2	↓ MOL2 SDF SMILES Flexibase

36162005

Analogs

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Popular Name: 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanone 1-[4-(1,1-dioxo-1,4-thiazinan-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.20	3.37	-16.91	0	4	0	54	253.323	2	↓ MOL2 SDF SMILES Flexibase

36162008

Analogs

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Popular Name: 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoro-phenyl]ethanone 1-[2-(1,1-dioxo-1,4-thiazinan-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.27	4.59	-14.3	0	4	0	54	271.313	2	↓ MOL2 SDF SMILES Flexibase

36162011

Analogs

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Popular Name: 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanone 1-[2-(1,1-dioxo-1,4-thiazinan-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.15	4.61	-14.17	0	4	0	54	253.323	2	↓ MOL2 SDF SMILES Flexibase

36162014

Analogs

36162017

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanamine (1S)-1-[2-(1,1-dioxo-1,4-thiazin…

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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)	-0.88	2.21	-54.76	3	4	1	65	255.363	2	↓ MOL2 SDF SMILES Flexibase

36162017

Analogs

36162014

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Popular Name: (1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanamine (1R)-1-[2-(1,1-dioxo-1,4-thiazin…

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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)	-0.88	2.3	-54.57	3	4	1	65	255.363	2	↓ MOL2 SDF SMILES Flexibase

36162021

Analogs

36162024

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-phenyl]ethanamine (1S)-1-[4-(1,1-dioxo-1,4-thiazin…

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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)	-0.74	2.24	-59.71	3	4	1	65	273.353	2	↓ MOL2 SDF SMILES Flexibase

36162024

Analogs

36162021

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-phenyl]ethanamine (1R)-1-[4-(1,1-dioxo-1,4-thiazin…

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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)	-0.74	2.23	-59.69	3	4	1	65	273.353	2	↓ MOL2 SDF SMILES Flexibase

36162027

Analogs

36162030

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoro-phenyl]ethanamine (1S)-1-[2-(1,1-dioxo-1,4-thiazin…

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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)	-0.74	2.28	-57.4	3	4	1	65	273.353	2	↓ MOL2 SDF SMILES Flexibase

36162030

Analogs

36162027

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoro-phenyl]ethanamine (1R)-1-[2-(1,1-dioxo-1,4-thiazin…

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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)	-0.74	2.37	-57.26	3	4	1	65	273.353	2	↓ MOL2 SDF SMILES Flexibase

36162032

Analogs

36162035

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanamine (1S)-1-[4-(1,1-dioxo-1,4-thiazin…

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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)	-0.83	1.73	-53.15	3	4	1	65	255.363	2	↓ MOL2 SDF SMILES Flexibase

36162035

Analogs

36162032

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanamine (1R)-1-[4-(1,1-dioxo-1,4-thiazin…

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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)	-0.83	1.73	-52.9	3	4	1	65	255.363	2	↓ MOL2 SDF SMILES Flexibase

36162038

Analogs

36162041

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoro-phenyl]ethanamine (1S)-1-[2-(1,1-dioxo-1,4-thiazin…

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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)	-0.76	2.71	-48.74	3	4	1	65	273.353	2	↓ MOL2 SDF SMILES Flexibase

36162041

Analogs

36162038

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoro-phenyl]ethanamine (1R)-1-[2-(1,1-dioxo-1,4-thiazin…

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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)	-0.76	2.72	-48.71	3	4	1	65	273.353	2	↓ MOL2 SDF SMILES Flexibase

36162043

Analogs

36162046

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-phenyl]-N-methyl-ethanamine (1S)-1-[4-(1,1-dioxo-1,4-thiazin…

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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)	1.51	4	-54.09	2	4	1	54	287.38	3	↓ MOL2 SDF SMILES Flexibase

36162046

Analogs

36162043

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-phenyl]-N-methyl-ethanamine (1R)-1-[4-(1,1-dioxo-1,4-thiazin…

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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)	1.51	4	-54.13	2	4	1	54	287.38	3	↓ MOL2 SDF SMILES Flexibase

36162049

Analogs

36162051

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-phenyl]-N-ethyl-ethanamine (1S)-1-[4-(1,1-dioxo-1,4-thiazin…

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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)	1.89	4.86	-52.82	2	4	1	54	301.407	4	↓ MOL2 SDF SMILES Flexibase

36162051

Analogs

36162049

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-phenyl]-N-ethyl-ethanamine (1R)-1-[4-(1,1-dioxo-1,4-thiazin…

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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)	1.89	4.85	-52.78	2	4	1	54	301.407	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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