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ZINC Item

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10517316

Analogs

10517317

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,5-difluorophenyl)sulfonyl-2-ethyl-7-thia-3-azabicyclo[4.3.0]nona-8,10-diene 3-(3,5-difluorophenyl)sulfonyl-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)	3.83	-2.04	-6.82	0	3	0	37	343.42	3	↓ MOL2 SDF SMILES Flexibase

10517317

Analogs

10517316

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,5-difluorophenyl)sulfonyl-2-ethyl-7-thia-3-azabicyclo[4.3.0]nona-8,10-diene 3-(3,5-difluorophenyl)sulfonyl-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)	3.83	-1.92	-7.86	0	3	0	37	343.42	3	↓ MOL2 SDF SMILES Flexibase

35634262

Analogs

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Popular Name: (1S)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanol (1S)-1-[4-(6,7-dihydro-4H-thieno…

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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)	2.08	3.9	-10.19	1	4	0	58	323.439	3	↓ MOL2 SDF SMILES Flexibase

35634263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanol (1R)-1-[4-(6,7-dihydro-4H-thieno…

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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)	2.08	3.86	-10.33	1	4	0	58	323.439	3	↓ MOL2 SDF SMILES Flexibase

35634264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanol (1S)-1-[3-(6,7-dihydro-4H-thieno…

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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)	2.06	3.89	-10	1	4	0	58	323.439	3	↓ MOL2 SDF SMILES Flexibase

35634265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanol (1R)-1-[3-(6,7-dihydro-4H-thieno…

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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)	2.06	3.85	-10.19	1	4	0	58	323.439	3	↓ MOL2 SDF SMILES Flexibase

19992367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4,5-dimethyl-aniline 3-(6,7-dihydro-4H-thieno[3,2-c]p…

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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	4.62	-10.35	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

20002967

Analogs

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Popular Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4,5-dimethyl-aniline 2-(6,7-dihydro-4H-thieno[3,2-c]p…

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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	5.5	-10.99	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

58316244

Analogs

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Popular Name: (4R)-5-(2,4-difluorophenyl)sulfonyl-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4R)-5-(2,4-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)	3.83	7.3	-8.2	0	3	0	37	343.42	3	↓ MOL2 SDF SMILES Flexibase

58316248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-(2,4-difluorophenyl)sulfonyl-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-5-(2,4-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)	3.83	7.27	-7.9	0	3	0	37	343.42	3	↓ MOL2 SDF SMILES Flexibase

58316250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-ethyl-5-[2-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4R)-4-ethyl-5-[2-(trifluorometh…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.43	8.13	-10.27	0	3	0	37	375.437	4	↓ MOL2 SDF SMILES Flexibase

58316254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-ethyl-5-[2-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-4-ethyl-5-[2-(trifluorometh…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.43	8.5	-12	0	3	0	37	375.437	4	↓ MOL2 SDF SMILES Flexibase

60498531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4,5-dimethyl-2-nitro-phenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine 5-(4,5-dimethyl-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)	3.23	8.53	-16.69	0	6	0	83	352.437	3	↓ MOL2 SDF SMILES Flexibase

40347854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-[[(4R)-4-methyl-6,7-dihydro-4H…

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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)	2.13	4.16	-10.09	2	4	0	63	308.428	2	↓ MOL2 SDF SMILES Flexibase

40347855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-[[(4S)-4-methyl-6,7-dihydro-4H…

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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)	2.13	4.23	-9.37	2	4	0	63	308.428	2	↓ MOL2 SDF SMILES Flexibase

40347858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 2-[[(4R)-4-methyl-6,7-dihydro-4H…

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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)	2.51	4.55	-10.15	2	4	0	63	308.428	2	↓ MOL2 SDF SMILES Flexibase

40347859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 2-[[(4S)-4-methyl-6,7-dihydro-4H…

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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)	2.51	4.78	-9.5	2	4	0	63	308.428	2	↓ MOL2 SDF SMILES Flexibase

40347860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 5-fluoro-2-[[(4R)-4-methyl-6,7-d…

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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)	2.65	4.63	-9.2	2	4	0	63	326.418	2	↓ MOL2 SDF SMILES Flexibase

40347861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 5-fluoro-2-[[(4S)-4-methyl-6,7-d…

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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)	2.65	4.85	-8.6	2	4	0	63	326.418	2	↓ MOL2 SDF SMILES Flexibase

40347862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 4-methyl-3-[[(4S)-4-methyl-6,7-d…

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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)	2.53	4.52	-8.94	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 4-methyl-3-[[(4R)-4-methyl-6,7-d…

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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)	2.53	4.7	-10.29	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347864

Analogs

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Popular Name: 4-chloro-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 4-chloro-3-[[(4R)-4-methyl-6,7-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	4.52	-9.98	2	4	0	63	342.873	2	↓ MOL2 SDF SMILES Flexibase

40347865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 4-chloro-3-[[(4S)-4-methyl-6,7-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	4.52	-10.06	2	4	0	63	342.873	2	↓ MOL2 SDF SMILES Flexibase

40347866

Analogs

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Popular Name: 3-chloro-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-chloro-4-[[(4R)-4-methyl-6,7-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	4.53	-10.3	2	4	0	63	342.873	2	↓ MOL2 SDF SMILES Flexibase

40347867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-chloro-4-[[(4S)-4-methyl-6,7-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	4.52	-10.39	2	4	0	63	342.873	2	↓ MOL2 SDF SMILES Flexibase

40347868

Analogs

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Popular Name: 2-chloro-5-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 2-chloro-5-[[(4R)-4-methyl-6,7-d…

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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)	3.17	4.73	-8.97	2	4	0	63	342.873	2	↓ MOL2 SDF SMILES Flexibase

40347869

Analogs

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Popular Name: 2-chloro-5-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 2-chloro-5-[[(4S)-4-methyl-6,7-d…

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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)	3.17	4.81	-8.32	2	4	0	63	342.873	2	↓ MOL2 SDF SMILES Flexibase

40347870

Analogs

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Popular Name: 2-amino-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenol 2-amino-4-[[(4R)-4-methyl-6,7-di…

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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)	2.27	1.42	-11	3	5	0	84	324.427	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.27	2.18	-43.08	2	5	-1	86	323.419	2	↓ MOL2 SDF SMILES Flexibase

40347871

Analogs

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Popular Name: 2-amino-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]phenol 2-amino-4-[[(4S)-4-methyl-6,7-di…

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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)	2.27	1.5	-10.22	3	5	0	84	324.427	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.27	2.26	-44.26	2	5	-1	86	323.419	2	↓ MOL2 SDF SMILES Flexibase

40347872

Analogs

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Popular Name: 2-fluoro-5-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 2-fluoro-5-[[(4R)-4-methyl-6,7-d…

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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)	2.65	4.25	-9.33	2	4	0	63	326.418	2	↓ MOL2 SDF SMILES Flexibase

40347873

Analogs

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Popular Name: 2-fluoro-5-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 2-fluoro-5-[[(4S)-4-methyl-6,7-d…

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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)	2.65	4.32	-8.7	2	4	0	63	326.418	2	↓ MOL2 SDF SMILES Flexibase

40347876

Analogs

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Popular Name: 2-methyl-3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 2-methyl-3-[[(4S)-4-methyl-6,7-d…

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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)	2.91	4.64	-9.05	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347877

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Popular Name: 2-methyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 2-methyl-3-[[(4R)-4-methyl-6,7-d…

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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)	2.91	4.82	-10.43	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347880

Analogs

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Popular Name: 5-chloro-2-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 5-chloro-2-[[(4R)-4-methyl-6,7-d…

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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)	3.17	5.08	-8.97	2	4	0	63	342.873	2	↓ MOL2 SDF SMILES Flexibase

40347881

Analogs

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Popular Name: 5-chloro-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 5-chloro-2-[[(4S)-4-methyl-6,7-d…

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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)	3.17	5.3	-8.36	2	4	0	63	342.873	2	↓ MOL2 SDF SMILES Flexibase

40347882

Analogs

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Popular Name: 4-fluoro-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 4-fluoro-3-[[(4R)-4-methyl-6,7-d…

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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	4.27	-10.75	2	4	0	63	326.418	2	↓ MOL2 SDF SMILES Flexibase

40347883

Analogs

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Popular Name: 4-fluoro-3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 4-fluoro-3-[[(4S)-4-methyl-6,7-d…

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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	4.13	-10.55	2	4	0	63	326.418	2	↓ MOL2 SDF SMILES Flexibase

40347884

Analogs

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Popular Name: 3-methyl-5-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-methyl-5-[[(4S)-4-methyl-6,7-d…

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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)	2.53	4.88	-9.4	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-methyl-5-[[(4R)-4-methyl-6,7-d…

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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)	2.53	4.81	-10	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347888

Analogs

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Popular Name: 3-bromo-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-bromo-4-[[(4R)-4-methyl-6,7-di…

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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)	2.89	4.61	-10.11	2	4	0	63	387.324	2	↓ MOL2 SDF SMILES Flexibase

40347889

Analogs

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Popular Name: 3-bromo-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-bromo-4-[[(4S)-4-methyl-6,7-di…

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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)	2.89	4.61	-10.25	2	4	0	63	387.324	2	↓ MOL2 SDF SMILES Flexibase

40347890

Analogs

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Popular Name: 5-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 5-methyl-2-[[(4S)-4-methyl-6,7-d…

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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)	2.94	5.45	-9.51	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 5-methyl-2-[[(4R)-4-methyl-6,7-d…

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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)	2.94	5.19	-10.14	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-methyl-4-[[(4S)-4-methyl-6,7-d…

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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)	2.53	4.51	-9.16	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-methyl-4-[[(4R)-4-methyl-6,7-d…

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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)	2.53	4.68	-10.68	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347894

Analogs

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Popular Name: 5-bromo-2-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 5-bromo-2-[[(4R)-4-methyl-6,7-di…

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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)	3.30	5.18	-8.88	2	4	0	63	387.324	2	↓ MOL2 SDF SMILES Flexibase

40347895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 5-bromo-2-[[(4S)-4-methyl-6,7-di…

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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)	3.30	5.4	-8.35	2	4	0	63	387.324	2	↓ MOL2 SDF SMILES Flexibase

40347896

Analogs

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Popular Name: 3-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-methyl-2-[[(4S)-4-methyl-6,7-d…

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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)	2.91	5.44	-8.48	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-2-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 3-methyl-2-[[(4R)-4-methyl-6,7-d…

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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)	2.91	5.22	-8.28	2	4	0	63	322.455	2	↓ MOL2 SDF SMILES Flexibase

40347904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]sulfonyl]aniline 4-fluoro-2-[[(4R)-4-methyl-6,7-d…

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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)	2.65	4.63	-10.92	2	4	0	63	326.418	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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