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ZINC Item

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50659662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6-(methylamino)pyridine-3-sulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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)	-0.10	-1.06	-18.71	1	7	0	96	319.408	4	↓ MOL2 SDF SMILES Flexibase

50659664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-6-(methylamino)pyridine-3-sulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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)	-0.10	-1.04	-19.79	1	7	0	96	319.408	4	↓ MOL2 SDF SMILES Flexibase

50659667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-6-(ethylamino)-N-methyl-pyridine-3-sulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-6…

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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	-0.25	-18.23	1	7	0	96	333.435	5	↓ MOL2 SDF SMILES Flexibase

50659669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-6-(ethylamino)-N-methyl-pyridine-3-sulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-6…

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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	-0.23	-19.29	1	7	0	96	333.435	5	↓ MOL2 SDF SMILES Flexibase

50659681

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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)	-0.32	0	-17.98	1	7	0	96	319.408	4	↓ MOL2 SDF SMILES Flexibase

50659683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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)	-0.32	0.06	-19.07	1	7	0	96	319.408	4	↓ MOL2 SDF SMILES Flexibase

50659686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(ethylamino)-N-methyl-pyridine-3-sulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.06	0.62	-21.53	1	7	0	96	333.435	5	↓ MOL2 SDF SMILES Flexibase

50659689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(ethylamino)-N-methyl-pyridine-3-sulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.06	0.58	-22.56	1	7	0	96	333.435	5	↓ MOL2 SDF SMILES Flexibase

50659709

Analogs

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Popular Name: 5-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide 5-bromo-N-[(3R)-1,1-dioxothiolan…

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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)	0.64	0.59	-16.38	1	7	0	96	398.304	4	↓ MOL2 SDF SMILES Flexibase

50659713

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide 5-bromo-N-[(3S)-1,1-dioxothiolan…

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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)	0.64	0.65	-17.94	1	7	0	96	398.304	4	↓ MOL2 SDF SMILES Flexibase

50659715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-pyridine-3-sulfonamide 6-amino-N-[(3R)-1,1-dioxothiolan…

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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)	-0.48	-1.93	-19.27	2	7	0	110	305.381	3	↓ MOL2 SDF SMILES Flexibase

50659718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-pyridine-3-sulfonamide 6-amino-N-[(3S)-1,1-dioxothiolan…

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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)	-0.48	-1.92	-19.23	2	7	0	110	305.381	3	↓ MOL2 SDF SMILES Flexibase

50659740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-pyridine-3-sulfonamide 2-amino-5-bromo-N-[(3R)-1,1-diox…

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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)	0.26	-0.85	-18.14	2	7	0	110	384.277	3	↓ MOL2 SDF SMILES Flexibase

50659743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-pyridine-3-sulfonamide 2-amino-5-bromo-N-[(3S)-1,1-diox…

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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)	0.26	-0.84	-17.67	2	7	0	110	384.277	3	↓ MOL2 SDF SMILES Flexibase

36139137

Analogs

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Popular Name: 5,6-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]pyridine-3-sulfonamide 5,6-dichloro-N-[(3R)-1,1-dioxoth…

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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)	1.08	-1.58	-18.52	1	6	0	93	345.229	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.08	-1.68	-33.28	0	6	-1	95	344.221	3	↓ MOL2 SDF SMILES Flexibase

36139140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-sulfonamide 5,6-dichloro-N-[(3S)-1,1-dioxoth…

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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)	1.08	-1.51	-18.52	1	6	0	93	345.229	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.08	-1.67	-33.19	0	6	-1	95	344.221	3	↓ MOL2 SDF SMILES Flexibase

36139143

Analogs

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Popular Name: 5,6-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-pyridine-3-sulfonamide 5,6-dichloro-N-[(3R)-1,1-dioxoth…

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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	0.21	-17.79	0	6	0	84	359.256	3	↓ MOL2 SDF SMILES Flexibase

36139144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-pyridine-3-sulfonamide 5,6-dichloro-N-[(3S)-1,1-dioxoth…

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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	0.22	-17.81	0	6	0	84	359.256	3	↓ MOL2 SDF SMILES Flexibase

36139164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-pyridine-3-sulfonamide 5,6-dichloro-N-[(3R)-1,1-dioxoth…

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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)	1.70	0.88	-17.66	0	6	0	84	373.283	4	↓ MOL2 SDF SMILES Flexibase

36139165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-pyridine-3-sulfonamide 5,6-dichloro-N-[(3S)-1,1-dioxoth…

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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)	1.70	0.78	-17.43	0	6	0	84	373.283	4	↓ MOL2 SDF SMILES Flexibase

36139262

Analogs

37980352
37980353
37986131
37986132

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-pyridine-3-sulfonamide 6-chloro-N-[(3R)-1,1-dioxothiola…

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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)	1.10	0.43	-18.85	0	6	0	84	338.838	4	↓ MOL2 SDF SMILES Flexibase

36139263

Analogs

37980352
37980353
37986131
37986132

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-pyridine-3-sulfonamide 6-chloro-N-[(3S)-1,1-dioxothiola…

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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)	1.10	0.32	-18.26	0	6	0	84	338.838	4	↓ MOL2 SDF SMILES Flexibase

36870524

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydrazino-N-methyl-pyridine-3-sulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.93	-1.67	-19.53	3	8	0	122	320.396	4	↓ MOL2 SDF SMILES Flexibase

36870525

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-hydrazino-N-methyl-pyridine-3-sulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.93	-1.66	-19.05	3	8	0	122	320.396	4	↓ MOL2 SDF SMILES Flexibase

36870528

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-6-hydrazino-N-methyl-pyridine-3-sulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-6…

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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)	-0.72	-2.02	-20.45	3	8	0	122	320.396	4	↓ MOL2 SDF SMILES Flexibase

36870529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-6-hydrazino-N-methyl-pyridine-3-sulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-6…

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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)	-0.72	-2.01	-20.51	3	8	0	122	320.396	4	↓ MOL2 SDF SMILES Flexibase

70302468

Analogs

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Popular Name: 6-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)pyridine-3-sulfonamide 6-amino-N-[(3R)-1,1-dioxothiolan…

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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)	-1.11	-4.23	-19.61	3	8	0	131	335.407	5	↓ MOL2 SDF SMILES Flexibase

70302469

Analogs

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Popular Name: 6-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-hydroxyethyl)pyridine-3-sulfonamide 6-amino-N-[(3S)-1,1-dioxothiolan…

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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)	-1.11	-4.25	-20.65	3	8	0	131	335.407	5	↓ MOL2 SDF SMILES Flexibase

70302663

Analogs

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Popular Name: 6-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-pyridine-3-sulfonamide 6-amino-N-[(3R)-1,1-dioxothiolan…

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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)	-0.10	-1.25	-19.33	2	7	0	110	319.408	4	↓ MOL2 SDF SMILES Flexibase

70302664

Analogs

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Popular Name: 6-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-pyridine-3-sulfonamide 6-amino-N-[(3S)-1,1-dioxothiolan…

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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)	-0.10	-1.37	-19.02	2	7	0	110	319.408	4	↓ MOL2 SDF SMILES Flexibase

70302789

Analogs

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Popular Name: 6-amino-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-pyridine-3-sulfonamide 6-amino-N-[(3R)-1,1-dioxothiolan…

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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)	-0.32	-0.69	-19.36	2	7	0	110	329.403	4	↓ MOL2 SDF SMILES Flexibase

70302790

Analogs

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Popular Name: 6-amino-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-pyridine-3-sulfonamide 6-amino-N-[(3S)-1,1-dioxothiolan…

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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)	-0.32	-0.69	-18.57	2	7	0	110	329.403	4	↓ MOL2 SDF SMILES Flexibase

49239646

Analogs

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Popular Name: N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]pyridine-3-sulfonamide N-[(3S)-3-methyl-1,1-dioxo-thiol…

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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)	-0.10	-2	-19.54	1	6	0	93	290.366	3	↓ MOL2 SDF SMILES Flexibase

49239648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]pyridine-3-sulfonamide N-[(3R)-3-methyl-1,1-dioxo-thiol…

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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)	-0.10	-2.05	-19.38	1	6	0	93	290.366	3	↓ MOL2 SDF SMILES Flexibase

49334732

Analogs

44244468
44244470
44245570
37840949
37840948

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-pyridine-3-sulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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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)	-0.14	0.58	-18.98	0	6	0	84	314.388	4	↓ MOL2 SDF SMILES Flexibase

49334735

Analogs

44244468
44244470
44245570
37840949
37840948

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-pyridine-3-sulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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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)	-0.14	0.58	-18.2	0	6	0	84	314.388	4	↓ MOL2 SDF SMILES Flexibase

49336016

Analogs

44245570

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(3R)-1,1-dioxothiolan-3-yl]pyridine-3-sulfonamide N-allyl-N-[(3R)-1,1-dioxothiolan…

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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)	0.34	0.56	-18.29	0	6	0	84	316.404	5	↓ MOL2 SDF SMILES Flexibase

49336018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-sulfonamide N-allyl-N-[(3S)-1,1-dioxothiolan…

Find On: PubMed — Wikipedia — Google

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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)	0.34	0.56	-19.07	0	6	0	84	316.404	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 6497
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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