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ZINC Item

Suppliers, Protomers, & Similar Substances

61702031

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzene-1,3-diamine 4-methyl-N1-[(4R)-4,5,6,7-tetrah…

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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)	3.64	6.43	-4.57	3	2	0	38	258.39	2	↓ MOL2 SDF SMILES Flexibase

61702032

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]benzene-1,3-diamine 4-methyl-N1-[(4S)-4,5,6,7-tetrah…

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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)	3.64	6.3	-4.35	3	2	0	38	258.39	2	↓ MOL2 SDF SMILES Flexibase

61324218

Analogs

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Popular Name: (4R)-N-(3-ethynylphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(3-ethynylphenyl)-4,5,6,7…

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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)	3.52	8.97	-5.68	1	1	0	12	253.37	2	↓ MOL2 SDF SMILES Flexibase

61324221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(3-ethynylphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(3-ethynylphenyl)-4,5,6,7…

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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)	3.52	8.85	-5.32	1	1	0	12	253.37	2	↓ MOL2 SDF SMILES Flexibase

61324224

Analogs

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Popular Name: (4R)-N-(m-tolyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(m-tolyl)-4,5,6,7-tetrahy…

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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)	4.21	8.44	-3.83	1	1	0	12	243.375	2	↓ MOL2 SDF SMILES Flexibase

61324226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(m-tolyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(m-tolyl)-4,5,6,7-tetrahy…

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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)	4.21	8.32	-3.61	1	1	0	12	243.375	2	↓ MOL2 SDF SMILES Flexibase

61324229

Analogs

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Popular Name: (4R)-N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(2,4-dimethylphenyl)-4,5,…

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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)	4.61	9.23	-3.9	1	1	0	12	257.402	2	↓ MOL2 SDF SMILES Flexibase

61324232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(2,4-dimethylphenyl)-4,5,…

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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)	4.61	9.1	-3.59	1	1	0	12	257.402	2	↓ MOL2 SDF SMILES Flexibase

61324256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-phenyl-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-phenyl-4,5,6,7-tetrahydro…

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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)	3.79	7.77	-3.69	1	1	0	12	229.348	2	↓ MOL2 SDF SMILES Flexibase

61324258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-phenyl-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-phenyl-4,5,6,7-tetrahydro…

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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)	3.79	7.65	-3.47	1	1	0	12	229.348	2	↓ MOL2 SDF SMILES Flexibase

61324319

Analogs

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Popular Name: N-[4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]phenyl]acetamide N-[4-[[(4R)-4,5,6,7-tetrahydrobe…

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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	6.67	-10.54	2	3	0	41	286.4	3	↓ MOL2 SDF SMILES Flexibase

61324321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]phenyl]acetamide N-[4-[[(4S)-4,5,6,7-tetrahydrobe…

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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	6.55	-10.83	2	3	0	41	286.4	3	↓ MOL2 SDF SMILES Flexibase

61324338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(3-methylsulfanylphenyl)-…

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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)	4.20	8.79	-4.85	1	1	0	12	275.442	3	↓ MOL2 SDF SMILES Flexibase

61324342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(3-methylsulfanylphenyl)-…

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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)	4.20	8.66	-4.47	1	1	0	12	275.442	3	↓ MOL2 SDF SMILES Flexibase

61324359

Analogs

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Popular Name: (4R)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(2-methoxyphenyl)-4,5,6,7…

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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)	3.79	7.18	-4.82	1	2	0	21	259.374	3	↓ MOL2 SDF SMILES Flexibase

61324360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(2-methoxyphenyl)-4,5,6,7…

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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)	3.79	7.06	-4.52	1	2	0	21	259.374	3	↓ MOL2 SDF SMILES Flexibase

61324361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(4-ethoxyphenyl)-4,5,6,7-…

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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)	4.22	7.98	-5.02	1	2	0	21	273.401	4	↓ MOL2 SDF SMILES Flexibase

61324363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(4-ethoxyphenyl)-4,5,6,7-…

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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)	4.22	7.86	-4.83	1	2	0	21	273.401	4	↓ MOL2 SDF SMILES Flexibase

61324377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(2,4-dimethoxyphenyl)-4,5…

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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	6.47	-5.97	1	3	0	30	289.4	4	↓ MOL2 SDF SMILES Flexibase

61324379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(2,4-dimethoxyphenyl)-4,5…

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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	6.36	-5.58	1	3	0	30	289.4	4	↓ MOL2 SDF SMILES Flexibase

61324381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(3-chloro-4-methoxy-phenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(3-chloro-4-methoxy-pheny…

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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)	4.45	7.61	-6.01	1	2	0	21	293.819	3	↓ MOL2 SDF SMILES Flexibase

61324384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(3-chloro-4-methoxy-phenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(3-chloro-4-methoxy-pheny…

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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)	4.45	7.5	-6.02	1	2	0	21	293.819	3	↓ MOL2 SDF SMILES Flexibase

61324392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(2-ethoxyphenyl)-4,5,6,7-…

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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)	4.17	8.11	-4.56	1	2	0	21	273.401	4	↓ MOL2 SDF SMILES Flexibase

61324395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(2-ethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(2-ethoxyphenyl)-4,5,6,7-…

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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)	4.17	7.99	-4.31	1	2	0	21	273.401	4	↓ MOL2 SDF SMILES Flexibase

61324422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(4-chloro-2,5-dimethoxy-phenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(4-chloro-2,5-dimethoxy-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)	4.43	6.95	-6.11	1	3	0	30	323.845	4	↓ MOL2 SDF SMILES Flexibase

61324425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(4-chloro-2,5-dimethoxy-phenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(4-chloro-2,5-dimethoxy-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)	4.43	6.91	-5.7	1	3	0	30	323.845	4	↓ MOL2 SDF SMILES Flexibase

61324433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(4-methylsulfanylphenyl)-…

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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)	4.22	8.78	-4.78	1	1	0	12	275.442	3	↓ MOL2 SDF SMILES Flexibase

61324435

Analogs

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Popular Name: (4S)-N-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(4-methylsulfanylphenyl)-…

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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)	4.22	8.67	-4.57	1	1	0	12	275.442	3	↓ MOL2 SDF SMILES Flexibase

61324443

Analogs

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Popular Name: (4R)-N-[2-(difluoromethylsulfanyl)phenyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[2-(difluoromethylsulfany…

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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)	4.73	9.12	-5.91	1	1	0	12	311.422	4	↓ MOL2 SDF SMILES Flexibase

61324446

Analogs

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Popular Name: (4S)-N-[2-(difluoromethylsulfanyl)phenyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[2-(difluoromethylsulfany…

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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)	4.73	9.01	-5.46	1	1	0	12	311.422	4	↓ MOL2 SDF SMILES Flexibase

61324467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(2,3,4-trifluorophenyl)-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)	4.13	7.96	-6.92	1	1	0	12	283.318	2	↓ MOL2 SDF SMILES Flexibase

61324468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(2,3,4-trifluorophenyl)-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)	4.13	7.85	-6.2	1	1	0	12	283.318	2	↓ MOL2 SDF SMILES Flexibase

61324471

Analogs

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Popular Name: (4R)-N-(2,5-difluorophenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(2,5-difluorophenyl)-4,5,…

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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)	4.04	7.93	-3.87	1	1	0	12	265.328	2	↓ MOL2 SDF SMILES Flexibase

61324474

Analogs

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Popular Name: (4S)-N-(2,5-difluorophenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(2,5-difluorophenyl)-4,5,…

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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)	4.04	7.8	-3.77	1	1	0	12	265.328	2	↓ MOL2 SDF SMILES Flexibase

61324482

Analogs

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Popular Name: (4R)-N-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(3,4-dimethoxyphenyl)-4,5…

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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)	3.43	6.96	-7.76	1	3	0	30	289.4	4	↓ MOL2 SDF SMILES Flexibase

61324485

Analogs

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Popular Name: (4S)-N-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(3,4-dimethoxyphenyl)-4,5…

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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)	3.43	6.84	-7.41	1	3	0	30	289.4	4	↓ MOL2 SDF SMILES Flexibase

61324490

Analogs

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Popular Name: (4R)-N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(3,5-dimethoxyphenyl)-4,5…

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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	6.38	-6.53	1	3	0	30	289.4	4	↓ MOL2 SDF SMILES Flexibase

61324491

Analogs

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Popular Name: (4S)-N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(3,5-dimethoxyphenyl)-4,5…

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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	6.26	-6.47	1	3	0	30	289.4	4	↓ MOL2 SDF SMILES Flexibase

61324500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(2,5-dimethoxyphenyl)-4,5…

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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	6.47	-6.04	1	3	0	30	289.4	4	↓ MOL2 SDF SMILES Flexibase

61324502

Analogs

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Popular Name: (4S)-N-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(2,5-dimethoxyphenyl)-4,5…

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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	6.35	-6.08	1	3	0	30	289.4	4	↓ MOL2 SDF SMILES Flexibase

61324504

Analogs

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Popular Name: (4R)-N-(5-chloro-2,4-dimethoxy-phenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(5-chloro-2,4-dimethoxy-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)	4.43	7.04	-6.23	1	3	0	30	323.845	4	↓ MOL2 SDF SMILES Flexibase

61324507

Analogs

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Popular Name: (4S)-N-(5-chloro-2,4-dimethoxy-phenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(5-chloro-2,4-dimethoxy-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)	4.43	6.93	-6.16	1	3	0	30	323.845	4	↓ MOL2 SDF SMILES Flexibase

61324509

Analogs

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Popular Name: 4-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]benzamide 4-[[(4R)-4,5,6,7-tetrahydrobenzo…

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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)	2.60	4.56	-10.39	3	3	0	55	272.373	3	↓ MOL2 SDF SMILES Flexibase

61324511

Analogs

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Popular Name: 4-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]benzamide 4-[[(4S)-4,5,6,7-tetrahydrobenzo…

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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)	2.60	4.44	-9.78	3	3	0	55	272.373	3	↓ MOL2 SDF SMILES Flexibase

61324521

Analogs

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Popular Name: (4R)-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[4-(trifluoromethoxy)phen…

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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)	4.75	7.55	-4.35	1	2	0	21	313.344	4	↓ MOL2 SDF SMILES Flexibase

61324524

Analogs

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Popular Name: (4S)-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[4-(trifluoromethoxy)phen…

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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)	4.75	7.44	-4.15	1	2	0	21	313.344	4	↓ MOL2 SDF SMILES Flexibase

61324536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[2-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[2-(trifluoromethoxy)phen…

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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)	4.71	7.67	-4.1	1	2	0	21	313.344	4	↓ MOL2 SDF SMILES Flexibase

61324538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[2-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[2-(trifluoromethoxy)phen…

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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)	4.71	7.56	-3.7	1	2	0	21	313.344	4	↓ MOL2 SDF SMILES Flexibase

61324545

Analogs

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Popular Name: (4R)-N-(5-chloro-2-methoxy-phenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(5-chloro-2-methoxy-pheny…

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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)	4.45	7.71	-4.43	1	2	0	21	293.819	3	↓ MOL2 SDF SMILES Flexibase

61324547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(5-chloro-2-methoxy-phenyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(5-chloro-2-methoxy-pheny…

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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)	4.45	7.58	-4.38	1	2	0	21	293.819	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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