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ZINC Item

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20000524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(4-fluoro-3-nitro-phenyl)sulfonylthiazolidine-4-carboxylic (4R)-3-(4-fluoro-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)	-0.55	4.46	-49.35	0	8	-1	123	335.314	4	↓ MOL2 SDF SMILES Flexibase

20000526

Analogs

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Popular Name: (4S)-3-(4-fluoro-3-nitro-phenyl)sulfonylthiazolidine-4-carboxylic (4S)-3-(4-fluoro-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)	-0.55	4.57	-54.63	0	8	-1	123	335.314	4	↓ MOL2 SDF SMILES Flexibase

20002397

Analogs

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Popular Name: (4R)-3-(2-chloro-4-nitro-phenyl)sulfonylthiazolidine-4-carboxylic (4R)-3-(2-chloro-4-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)	-0.03	4.78	-46.9	0	8	-1	123	351.769	4	↓ MOL2 SDF SMILES Flexibase

20002400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(2-chloro-4-nitro-phenyl)sulfonylthiazolidine-4-carboxylic (4S)-3-(2-chloro-4-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)	-0.03	3.86	-36.93	0	8	-1	123	351.769	4	↓ MOL2 SDF SMILES Flexibase

58305309

Analogs

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Popular Name: (4S)-3-(5-bromo-2-methyl-phenyl)sulfonyl-N-tert-butyl-thiazolidine-4-carboxamide (4S)-3-(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)	3.09	6.17	-16.04	1	5	0	66	421.382	4	↓ MOL2 SDF SMILES Flexibase

58305310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(5-bromo-2-methyl-phenyl)sulfonyl-N-tert-butyl-thiazolidine-4-carboxamide (4R)-3-(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)	3.09	5.75	-17.19	1	5	0	66	421.382	4	↓ MOL2 SDF SMILES Flexibase

58305335

Analogs

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Popular Name: (4R)-N-tert-butyl-3-(2-methylsulfonylphenyl)sulfonyl-thiazolidine-4-carboxamide (4R)-N-tert-butyl-3-(2-methylsul…

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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	3.5	-23.72	1	7	0	101	406.551	5	↓ MOL2 SDF SMILES Flexibase

58305336

Analogs

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Popular Name: (4S)-N-tert-butyl-3-(2-methylsulfonylphenyl)sulfonyl-thiazolidine-4-carboxamide (4S)-N-tert-butyl-3-(2-methylsul…

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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	4.03	-29.92	1	7	0	101	406.551	5	↓ MOL2 SDF SMILES Flexibase

58323304

Analogs

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Popular Name: (4R)-N-tert-butyl-3-(2-fluorophenyl)sulfonyl-thiazolidine-4-carboxamide (4R)-N-tert-butyl-3-(2-fluorophe…

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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	4.52	-17.31	1	5	0	66	346.449	4	↓ MOL2 SDF SMILES Flexibase

58323306

Analogs

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Popular Name: (4S)-N-tert-butyl-3-(2-fluorophenyl)sulfonyl-thiazolidine-4-carboxamide (4S)-N-tert-butyl-3-(2-fluorophe…

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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	4.92	-18.41	1	5	0	66	346.449	4	↓ MOL2 SDF SMILES Flexibase

58328284

Analogs

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Popular Name: (4R)-N-tert-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-thiazolidine-4-carboxamide (4R)-N-tert-butyl-3-[4-chloro-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)	3.40	4.88	-9.57	1	5	0	66	430.901	5	↓ MOL2 SDF SMILES Flexibase

58328286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-tert-butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-thiazolidine-4-carboxamide (4S)-N-tert-butyl-3-[4-chloro-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)	3.40	6.41	-17.9	1	5	0	66	430.901	5	↓ MOL2 SDF SMILES Flexibase

69658316

Analogs

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Popular Name: 3-(4-methoxy-3-nitro-phenyl)sulfonylthiazolidine 3-(4-methoxy-3-nitro-phenyl)sulf…

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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	4.1	-16.04	0	7	0	92	304.349	4	↓ MOL2 SDF SMILES Flexibase

69661769

Analogs

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Popular Name: N-allyl-3-thiazolidin-3-ylsulfonyl-benzamide N-allyl-3-thiazolidin-3-ylsulfon…

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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)	1.44	2.98	-16.57	1	5	0	66	312.416	5	↓ MOL2 SDF SMILES Flexibase

65531289

Analogs

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Popular Name: (4R)-3-(2-fluorophenyl)sulfonyl-N-isobutyl-thiazolidine-4-carboxamide (4R)-3-(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)	1.96	4.85	-18.12	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65531292

Analogs

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Popular Name: (4S)-3-(2-fluorophenyl)sulfonyl-N-isobutyl-thiazolidine-4-carboxamide (4S)-3-(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)	1.96	5.32	-19.23	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65531476

Analogs

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Popular Name: (4R)-3-(3-fluorophenyl)sulfonyl-N-isopropyl-N-methyl-thiazolidine-4-carboxamide (4R)-3-(3-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)	1.77	4.94	-10.8	0	5	0	58	346.449	4	↓ MOL2 SDF SMILES Flexibase

65531479

Analogs

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Popular Name: (4S)-3-(3-fluorophenyl)sulfonyl-N-isopropyl-N-methyl-thiazolidine-4-carboxamide (4S)-3-(3-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)	1.77	6.18	-20.47	0	5	0	58	346.449	4	↓ MOL2 SDF SMILES Flexibase

65531502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(2-fluorophenyl)sulfonyl-N-isopropyl-N-methyl-thiazolidine-4-carboxamide (4R)-3-(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)	1.75	5.8	-18.98	0	5	0	58	346.449	4	↓ MOL2 SDF SMILES Flexibase

65531506

Analogs

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Popular Name: (4S)-3-(2-fluorophenyl)sulfonyl-N-isopropyl-N-methyl-thiazolidine-4-carboxamide (4S)-3-(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)	1.75	6.03	-20.6	0	5	0	58	346.449	4	↓ MOL2 SDF SMILES Flexibase

65537419

Analogs

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Popular Name: (4R)-3-(2-fluorophenyl)sulfonyl-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(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)	2.04	5.1	-18.36	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65537421

Analogs

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Popular Name: (4R)-3-(2-fluorophenyl)sulfonyl-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(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)	2.04	5.1	-18.08	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65537424

Analogs

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Popular Name: (4S)-3-(2-fluorophenyl)sulfonyl-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(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)	2.04	5.56	-19.37	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65537427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(2-fluorophenyl)sulfonyl-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(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)	2.04	5.56	-19.51	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65537701

Analogs

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Popular Name: (4R)-3-(3-fluorophenyl)sulfonyl-N-isobutyl-thiazolidine-4-carboxamide (4R)-3-(3-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)	1.98	4.69	-16.12	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65537704

Analogs

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Popular Name: (4S)-3-(3-fluorophenyl)sulfonyl-N-isobutyl-thiazolidine-4-carboxamide (4S)-3-(3-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)	1.98	5.45	-19.45	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65550005

Analogs

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Popular Name: (4R)-3-(4-fluorophenyl)sulfonyl-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(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)	2.09	4.95	-15.89	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65550007

Analogs

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Popular Name: (4R)-3-(4-fluorophenyl)sulfonyl-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(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)	2.09	4.95	-15.62	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65550011

Analogs

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Popular Name: (4S)-3-(4-fluorophenyl)sulfonyl-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(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)	2.09	5.7	-18.04	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65550014

Analogs

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Popular Name: (4S)-3-(4-fluorophenyl)sulfonyl-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(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)	2.09	5.7	-18.18	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65552058

Analogs

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Popular Name: (4R)-3-(benzenesulfonyl)-N-isopropyl-N-methyl-thiazolidine-4-carboxamide (4R)-3-(benzenesulfonyl)-N-isopr…

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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	4.87	-11.47	0	5	0	58	328.459	4	↓ MOL2 SDF SMILES Flexibase

65552060

Analogs

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Popular Name: (4S)-3-(benzenesulfonyl)-N-isopropyl-N-methyl-thiazolidine-4-carboxamide (4S)-3-(benzenesulfonyl)-N-isopr…

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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	6.11	-20.35	0	5	0	58	328.459	4	↓ MOL2 SDF SMILES Flexibase

65553771

Analogs

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Popular Name: (4R)-3-(3,5-difluorophenyl)sulfonyl-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(3,5-difluorophenyl)sulfo…

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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)	2.18	5.02	-14.65	1	5	0	66	364.439	5	↓ MOL2 SDF SMILES Flexibase

65553772

Analogs

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Popular Name: (4R)-3-(3,5-difluorophenyl)sulfonyl-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(3,5-difluorophenyl)sulfo…

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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)	2.18	5.02	-14.46	1	5	0	66	364.439	5	↓ MOL2 SDF SMILES Flexibase

65553774

Analogs

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Popular Name: (4S)-3-(3,5-difluorophenyl)sulfonyl-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(3,5-difluorophenyl)sulfo…

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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)	2.18	5.76	-16.89	1	5	0	66	364.439	5	↓ MOL2 SDF SMILES Flexibase

65553775

Analogs

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Popular Name: (4S)-3-(3,5-difluorophenyl)sulfonyl-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(3,5-difluorophenyl)sulfo…

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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)	2.18	5.76	-17	1	5	0	66	364.439	5	↓ MOL2 SDF SMILES Flexibase

65553835

Analogs

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Popular Name: (4R)-3-(3-fluorophenyl)sulfonyl-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(3-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)	2.07	4.95	-16.32	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65553836

Analogs

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Popular Name: (4R)-3-(3-fluorophenyl)sulfonyl-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(3-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)	2.07	4.95	-16.08	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65553837

Analogs

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Popular Name: (4S)-3-(3-fluorophenyl)sulfonyl-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(3-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)	2.07	5.7	-19.54	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65553838

Analogs

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Popular Name: (4S)-3-(3-fluorophenyl)sulfonyl-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(3-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)	2.07	5.7	-19.63	1	5	0	66	346.449	5	↓ MOL2 SDF SMILES Flexibase

65553949

Analogs

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Popular Name: (4R)-3-(benzenesulfonyl)-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(benzenesulfonyl)-N-[(1R)…

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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)	1.93	4.88	-16.98	1	5	0	66	328.459	5	↓ MOL2 SDF SMILES Flexibase

65553950

Analogs

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Popular Name: (4R)-3-(benzenesulfonyl)-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(benzenesulfonyl)-N-[(1S)…

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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)	1.93	4.88	-16.75	1	5	0	66	328.459	5	↓ MOL2 SDF SMILES Flexibase

65553951

Analogs

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Popular Name: (4S)-3-(benzenesulfonyl)-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(benzenesulfonyl)-N-[(1R)…

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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)	1.93	5.63	-19.29	1	5	0	66	328.459	5	↓ MOL2 SDF SMILES Flexibase

65553952

Analogs

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Popular Name: (4S)-3-(benzenesulfonyl)-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(benzenesulfonyl)-N-[(1S)…

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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)	1.93	5.63	-19.41	1	5	0	66	328.459	5	↓ MOL2 SDF SMILES Flexibase

65562644

Analogs

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Popular Name: (4R)-3-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(2,4-dimethylphenyl)sulfo…

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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)	2.75	6.34	-16.23	1	5	0	66	356.513	5	↓ MOL2 SDF SMILES Flexibase

65562646

Analogs

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Popular Name: (4R)-3-(2,4-dimethylphenyl)sulfonyl-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4R)-3-(2,4-dimethylphenyl)sulfo…

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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)	2.75	6.31	-15.88	1	5	0	66	356.513	5	↓ MOL2 SDF SMILES Flexibase

65562647

Analogs

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Popular Name: (4S)-3-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(2,4-dimethylphenyl)sulfo…

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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)	2.75	6.96	-21.52	1	5	0	66	356.513	5	↓ MOL2 SDF SMILES Flexibase

65562649

Analogs

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Popular Name: (4S)-3-(2,4-dimethylphenyl)sulfonyl-N-[(1S)-1-methylpropyl]thiazolidine-4-carboxamide (4S)-3-(2,4-dimethylphenyl)sulfo…

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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)	2.75	6.96	-21.64	1	5	0	66	356.513	5	↓ MOL2 SDF SMILES Flexibase

65562973

Analogs

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Popular Name: (4R)-3-(4-fluorophenyl)sulfonyl-N-isopropyl-N-methyl-thiazolidine-4-carboxamide (4R)-3-(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)	1.80	4.94	-10.37	0	5	0	58	346.449	4	↓ MOL2 SDF SMILES Flexibase

65562974

Analogs

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Popular Name: (4S)-3-(4-fluorophenyl)sulfonyl-N-isopropyl-N-methyl-thiazolidine-4-carboxamide (4S)-3-(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)	1.80	6.18	-18.94	0	5	0	58	346.449	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

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 = 59970 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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