ZINC 12

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ZINC Item

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60017810

Analogs

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Popular Name: (2R)-2-methyl-5-oxo-1-(p-tolylsulfonyl)pyrrolidin-1-ium-1-carboxylic (2R)-2-methyl-5-oxo-1-(p-tolylsu…

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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)	-2.40	6.3	-23.24	0	6	0	91	297.332	2	↓ MOL2 SDF SMILES Flexibase

60017811

Analogs

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Popular Name: (2S)-2-methyl-5-oxo-1-(p-tolylsulfonyl)pyrrolidin-1-ium-1-carboxylic (2S)-2-methyl-5-oxo-1-(p-tolylsu…

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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)	-2.40	6.37	-22.15	0	6	0	91	297.332	2	↓ MOL2 SDF SMILES Flexibase

62817909

Analogs

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Popular Name: (4R)-1-(4-chloro-3-nitro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(4-chloro-3-nitro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	5.61	-13.15	0	7	0	100	318.738	3	↓ MOL2 SDF SMILES Flexibase

62817910

Analogs

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Popular Name: (4S)-1-(4-chloro-3-nitro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(4-chloro-3-nitro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	5.61	-13.58	0	7	0	100	318.738	3	↓ MOL2 SDF SMILES Flexibase

62817915

Analogs

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Popular Name: (4R)-1-(4-fluorophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(4-fluorophenyl)sulfonyl-…

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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)	1.61	4.58	-13.14	0	4	0	54	257.286	2	↓ MOL2 SDF SMILES Flexibase

62817916

Analogs

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Popular Name: (4S)-1-(4-fluorophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(4-fluorophenyl)sulfonyl-…

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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)	1.61	4.58	-13.63	0	4	0	54	257.286	2	↓ MOL2 SDF SMILES Flexibase

62817921

Analogs

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Popular Name: (4R)-1-(2-fluorophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(2-fluorophenyl)sulfonyl-…

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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	4.46	-17.07	0	4	0	54	257.286	2	↓ MOL2 SDF SMILES Flexibase

62817922

Analogs

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Popular Name: (4S)-1-(2-fluorophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(2-fluorophenyl)sulfonyl-…

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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	4.46	-17.64	0	4	0	54	257.286	2	↓ MOL2 SDF SMILES Flexibase

62817923

Analogs

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Popular Name: (4R)-1-(2-fluoro-5-methylsulfonyl-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(2-fluoro-5-methylsulfony…

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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)	0.41	2.01	-21.37	0	6	0	89	335.378	3	↓ MOL2 SDF SMILES Flexibase

62817924

Analogs

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Popular Name: (4S)-1-(2-fluoro-5-methylsulfonyl-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(2-fluoro-5-methylsulfony…

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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)	0.41	2.01	-21.94	0	6	0	89	335.378	3	↓ MOL2 SDF SMILES Flexibase

62817929

Analogs

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Popular Name: (4R)-1-(2-chloro-5-nitro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(2-chloro-5-nitro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	5.43	-13.42	0	7	0	100	318.738	3	↓ MOL2 SDF SMILES Flexibase

62817930

Analogs

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Popular Name: (4S)-1-(2-chloro-5-nitro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(2-chloro-5-nitro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	5.44	-13.85	0	7	0	100	318.738	3	↓ MOL2 SDF SMILES Flexibase

62817937

Analogs

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Popular Name: (4R)-1-(5-bromo-2-nitro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(5-bromo-2-nitro-phenyl)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)	2.15	6.77	-21.99	0	7	0	100	363.189	3	↓ MOL2 SDF SMILES Flexibase

62817938

Analogs

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Popular Name: (4S)-1-(5-bromo-2-nitro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(5-bromo-2-nitro-phenyl)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)	2.15	6.66	-22.21	0	7	0	100	363.189	3	↓ MOL2 SDF SMILES Flexibase

62817993

Analogs

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Popular Name: (4R)-1-[4-(2-chloroethyl)phenyl]sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-[4-(2-chloroethyl)phenyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	6.58	-14.95	0	4	0	54	301.795	4	↓ MOL2 SDF SMILES Flexibase

62817994

Analogs

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Popular Name: (4S)-1-[4-(2-chloroethyl)phenyl]sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-[4-(2-chloroethyl)phenyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	6.58	-15.46	0	4	0	54	301.795	4	↓ MOL2 SDF SMILES Flexibase

62817997

Analogs

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Popular Name: (4R)-1-(5-bromo-2-methyl-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(5-bromo-2-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	5.5	-11.33	0	4	0	54	332.219	2	↓ MOL2 SDF SMILES Flexibase

62817998

Analogs

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Popular Name: (4S)-1-(5-bromo-2-methyl-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(5-bromo-2-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	5.51	-11.68	0	4	0	54	332.219	2	↓ MOL2 SDF SMILES Flexibase

62817999

Analogs

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Popular Name: (4R)-1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(5-bromo-2-methoxy-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	5.46	-14.31	0	5	0	64	348.218	3	↓ MOL2 SDF SMILES Flexibase

62818000

Analogs

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Popular Name: (4S)-1-(5-bromo-2-methoxy-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(5-bromo-2-methoxy-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	5.46	-14.79	0	5	0	64	348.218	3	↓ MOL2 SDF SMILES Flexibase

62818001

Analogs

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Popular Name: (4R)-1-(2-bromo-4,6-difluoro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(2-bromo-4,6-difluoro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.44	5.42	-13.01	0	4	0	54	354.172	2	↓ MOL2 SDF SMILES Flexibase

62818002

Analogs

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Popular Name: (4S)-1-(2-bromo-4,6-difluoro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(2-bromo-4,6-difluoro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.44	5.42	-13.6	0	4	0	54	354.172	2	↓ MOL2 SDF SMILES Flexibase

62818003

Analogs

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Popular Name: (4R)-1-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(3-bromo-4-methoxy-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	4.49	-13.46	0	5	0	64	348.218	3	↓ MOL2 SDF SMILES Flexibase

62818004

Analogs

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Popular Name: (4S)-1-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(3-bromo-4-methoxy-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	4.49	-13.93	0	5	0	64	348.218	3	↓ MOL2 SDF SMILES Flexibase

62818005

Analogs

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Popular Name: (4R)-1-(4-bromo-3-methyl-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(4-bromo-3-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	5.69	-12.83	0	4	0	54	332.219	2	↓ MOL2 SDF SMILES Flexibase

62818006

Analogs

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Popular Name: (4S)-1-(4-bromo-3-methyl-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(4-bromo-3-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	5.7	-13.42	0	4	0	54	332.219	2	↓ MOL2 SDF SMILES Flexibase

62818007

Analogs

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Popular Name: (4R)-1-(2-bromo-4-methyl-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(2-bromo-4-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	6.01	-17.86	0	4	0	54	332.219	2	↓ MOL2 SDF SMILES Flexibase

62818008

Analogs

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Popular Name: (4S)-1-(2-bromo-4-methyl-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(2-bromo-4-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	5.76	-16.88	0	4	0	54	332.219	2	↓ MOL2 SDF SMILES Flexibase

62818009

Analogs

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Popular Name: (4R)-1-(2,4-dibromophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(2,4-dibromophenyl)sulfon…

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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)	3.00	5.42	-10.73	0	4	0	54	397.088	2	↓ MOL2 SDF SMILES Flexibase

62818010

Analogs

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Popular Name: (4S)-1-(2,4-dibromophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(2,4-dibromophenyl)sulfon…

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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)	3.00	5.42	-11.51	0	4	0	54	397.088	2	↓ MOL2 SDF SMILES Flexibase

62818011

Analogs

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Popular Name: (4R)-1-(2-bromo-4-fluoro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(2-bromo-4-fluoro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	4.87	-10.93	0	4	0	54	336.182	2	↓ MOL2 SDF SMILES Flexibase

62818012

Analogs

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Popular Name: (4S)-1-(2-bromo-4-fluoro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(2-bromo-4-fluoro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	4.87	-11.68	0	4	0	54	336.182	2	↓ MOL2 SDF SMILES Flexibase

62818013

Analogs

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Popular Name: (4R)-1-(4-bromophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(4-bromophenyl)sulfonyl-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)	2.26	5.14	-12.84	0	4	0	54	318.192	2	↓ MOL2 SDF SMILES Flexibase

62818014

Analogs

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Popular Name: (4S)-1-(4-bromophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(4-bromophenyl)sulfonyl-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)	2.26	5.14	-13.33	0	4	0	54	318.192	2	↓ MOL2 SDF SMILES Flexibase

62818015

Analogs

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Popular Name: (4R)-1-(4-bromo-2,6-dichloro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(4-bromo-2,6-dichloro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.47	6.26	-10.61	0	4	0	54	387.082	2	↓ MOL2 SDF SMILES Flexibase

62818016

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Popular Name: (4S)-1-(4-bromo-2,6-dichloro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(4-bromo-2,6-dichloro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.47	6.26	-11.13	0	4	0	54	387.082	2	↓ MOL2 SDF SMILES Flexibase

62818017

Analogs

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Popular Name: (4R)-1-(2,5-dibromophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(2,5-dibromophenyl)sulfon…

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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)	3.00	5.43	-12.7	0	4	0	54	397.088	2	↓ MOL2 SDF SMILES Flexibase

62818018

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Popular Name: (4S)-1-(2,5-dibromophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(2,5-dibromophenyl)sulfon…

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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)	3.00	5.43	-13.53	0	4	0	54	397.088	2	↓ MOL2 SDF SMILES Flexibase

62818019

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Popular Name: (4R)-1-(2-bromophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(2-bromophenyl)sulfonyl-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)	2.21	4.8	-13.62	0	4	0	54	318.192	2	↓ MOL2 SDF SMILES Flexibase

62818020

Analogs

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Popular Name: (4S)-1-(2-bromophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(2-bromophenyl)sulfonyl-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)	2.21	4.8	-14.37	0	4	0	54	318.192	2	↓ MOL2 SDF SMILES Flexibase

62818021

Analogs

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Popular Name: (4R)-1-(4-bromo-2-chloro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(4-bromo-2-chloro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	5.33	-11.95	0	4	0	54	352.637	2	↓ MOL2 SDF SMILES Flexibase

62818022

Analogs

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Popular Name: (4S)-1-(4-bromo-2-chloro-phenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(4-bromo-2-chloro-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	5.34	-12.5	0	4	0	54	352.637	2	↓ MOL2 SDF SMILES Flexibase

62818023

Analogs

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Popular Name: (4R)-1-(3-bromophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4R)-1-(3-bromophenyl)sulfonyl-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)	2.23	5.14	-12.65	0	4	0	54	318.192	2	↓ MOL2 SDF SMILES Flexibase

62818024

Analogs

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Popular Name: (4S)-1-(3-bromophenyl)sulfonyl-4-methyl-pyrrolidin-2-one (4S)-1-(3-bromophenyl)sulfonyl-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)	2.23	5.14	-13.13	0	4	0	54	318.192	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 196714
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 196714 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=196714&filter.purchasability=annotated

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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