ZINC 12

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)	-0.08	5.32	-53.51	3	4	1	61	298.391	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.08	4.92	-9.92	2	4	0	59	297.383	1	↓ MOL2 SDF SMILES Flexibase

49629856

Analogs

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Popular Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methyl-ethanamine 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)	0.77	2.69	-49.48	2	4	1	54	261.392	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.77	1.25	-9.08	1	4	0	49	260.384	4	↓ MOL2 SDF SMILES Flexibase

44241600

Analogs

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Popular Name: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-thiadiazole-2-thiol 5-(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)	2.54	6.3	-41.43	0	3	-1	29	254.385	1	↓ MOL2 SDF SMILES Flexibase

44241875

Analogs

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Popular Name: 5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1,3,4-thiadiazole-2-thiol 5-[(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)	3.10	6.99	-42	0	3	-1	29	268.412	1	↓ MOL2 SDF SMILES Flexibase

44241878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1,3,4-thiadiazole-2-thiol 5-[(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)	3.10	6.95	-42.36	0	3	-1	29	268.412	1	↓ MOL2 SDF SMILES Flexibase

61700694

Analogs

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Popular Name: 5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-aniline 5-(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)	3.17	6.8	-4.89	2	2	0	29	244.363	1	↓ MOL2 SDF SMILES Flexibase

44242226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(6,7-dihydro-4H-thieno[3,2…

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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)	1.99	7.65	-45	0	5	-1	69	312.421	4	↓ MOL2 SDF SMILES Flexibase

44242373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(4R)-4-methyl-6,7-dihydro…

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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)	2.55	8.33	-45.54	0	5	-1	69	326.448	4	↓ MOL2 SDF SMILES Flexibase

44242375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(4S)-4-methyl-6,7-dihydro…

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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)	2.55	8.29	-45.93	0	5	-1	69	326.448	4	↓ MOL2 SDF SMILES Flexibase

61701808

Analogs

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Popular Name: 2-methyl-5-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]aniline 2-methyl-5-[(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)	3.73	7.45	-4.6	2	2	0	29	258.39	1	↓ MOL2 SDF SMILES Flexibase

61701809

Analogs

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Popular Name: 2-methyl-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]aniline 2-methyl-5-[(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)	3.73	7.42	-3.71	2	2	0	29	258.39	1	↓ MOL2 SDF SMILES Flexibase

40232456

Analogs

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Popular Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone 6,7-dihydro-4H-thieno[3,2-c]pyri…

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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	5.64	-10.84	1	3	0	41	303.408	1	↓ MOL2 SDF SMILES Flexibase

40232458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[5-(4-hydroxybut-1-ynyl)-2-thienyl]methanone 6,7-dihydro-4H-thieno[3,2-c]pyri…

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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)	2.62	6.4	-8.97	1	3	0	41	317.435	2	↓ MOL2 SDF SMILES Flexibase

10517316

Analogs

10517317

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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

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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

44827484

Analogs

40467711
40467708
32781398
32781396

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Popular Name: 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-2-propyl-pentanenitrile 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)	4.22	9.07	-6.97	0	3	0	44	304.459	5	↓ MOL2 SDF SMILES Flexibase

44827487

Analogs

40467711
40467708
32781398
32781396

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-2-propyl-pentanenitrile 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)	4.22	8.87	-6.26	0	3	0	44	304.459	5	↓ MOL2 SDF SMILES Flexibase

44827490

Analogs

32781421
32781419
32904061

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]butanenitrile (2S)-2-[(4S)-4-methyl-6,7-dihydr…

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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)	2.52	7.01	-9.04	0	3	0	44	248.351	2	↓ MOL2 SDF SMILES Flexibase

44827493

Analogs

32781421
32781419
32904061

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]butanenitrile (2R)-2-[(4S)-4-methyl-6,7-dihydr…

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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)	2.52	7.05	-8.38	0	3	0	44	248.351	2	↓ MOL2 SDF SMILES Flexibase

44827496

Analogs

32781421
32781419
32904061

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]butanenitrile (2S)-2-[(4R)-4-methyl-6,7-dihydr…

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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)	2.52	6.81	-8.78	0	3	0	44	248.351	2	↓ MOL2 SDF SMILES Flexibase

44827499

Analogs

32781421
32781419
32904061

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]butanenitrile (2R)-2-[(4R)-4-methyl-6,7-dihydr…

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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)	2.52	6.82	-7.45	0	3	0	44	248.351	2	↓ MOL2 SDF SMILES Flexibase

44827503

Analogs

32781398
32781396
32845625

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pentanenitrile (2S)-2-[(4S)-4-methyl-6,7-dihydr…

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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)	3.08	7.79	-9.05	0	3	0	44	262.378	3	↓ MOL2 SDF SMILES Flexibase

44827506

Analogs

32781398
32781396
32845625

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pentanenitrile (2R)-2-[(4S)-4-methyl-6,7-dihydr…

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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)	3.08	7.83	-8.34	0	3	0	44	262.378	3	↓ MOL2 SDF SMILES Flexibase

44827509

Analogs

32781398
32781396
32845625

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pentanenitrile (2S)-2-[(4R)-4-methyl-6,7-dihydr…

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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)	3.08	7.59	-8.81	0	3	0	44	262.378	3	↓ MOL2 SDF SMILES Flexibase

44827512

Analogs

32781398
32781396
32845625

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pentanenitrile (2R)-2-[(4R)-4-methyl-6,7-dihydr…

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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)	3.08	7.6	-7.44	0	3	0	44	262.378	3	↓ MOL2 SDF SMILES Flexibase

44827515

Analogs

32781421
32781419
32904062

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]butanenitrile (2R)-3-methyl-2-[(4R)-4-methyl-6…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	7.45	-7.21	0	3	0	44	262.378	2	↓ MOL2 SDF SMILES Flexibase

44827518

Analogs

32781421
32781419
32904062

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-methyl-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]butanenitrile (2R)-3-methyl-2-[(4S)-4-methyl-6…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	7.6	-7.62	0	3	0	44	262.378	2	↓ MOL2 SDF SMILES Flexibase

44827521

Analogs

32781421
32781419
32904062

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]butanenitrile (2S)-3-methyl-2-[(4R)-4-methyl-6…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	7.38	-7.7	0	3	0	44	262.378	2	↓ MOL2 SDF SMILES Flexibase

44827524

Analogs

32781421
32781419
32904062

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-methyl-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]butanenitrile (2S)-3-methyl-2-[(4S)-4-methyl-6…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	7.57	-8.4	0	3	0	44	262.378	2	↓ MOL2 SDF SMILES Flexibase

44827526

Analogs

44415936
44415934
32845622
32845624

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	6.37	-15.1	0	3	0	44	234.324	1	↓ MOL2 SDF SMILES Flexibase

44827529

Analogs

44415936
44415934
32845622
32845624

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	6.57	-15.89	0	3	0	44	234.324	1	↓ MOL2 SDF SMILES Flexibase

44827532

Analogs

44415936
44415934
32845622
32845624

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	6.2	-15.17	0	3	0	44	234.324	1	↓ MOL2 SDF SMILES Flexibase

44827534

Analogs

44415936
44415934
32845622
32845624

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	6.5	-13.56	0	3	0	44	234.324	1	↓ MOL2 SDF SMILES Flexibase

44828977

Analogs

55168797
34956358
42010608
19411418
19411416

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propyl-pentanethioamide 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)	2.79	7.08	-5.29	2	3	0	46	324.515	6	↓ MOL2 SDF SMILES Flexibase

44828978

Analogs

34956358

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-3-oxo-propanethioamide (2R)-3-(6,7-dihydro-4H-thieno[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)	0.59	4.59	-14.45	2	3	0	46	254.38	2	↓ MOL2 SDF SMILES Flexibase

44828980

Analogs

34956358

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-3-oxo-propanethioamide (2S)-3-(6,7-dihydro-4H-thieno[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)	0.59	4.55	-16.94	2	3	0	46	254.38	2	↓ MOL2 SDF SMILES Flexibase

44828981

Analogs

34956358

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)butanethioamide (2R)-2-(6,7-dihydro-4H-thieno[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)	1.09	5.29	-10.39	2	3	0	46	268.407	3	↓ MOL2 SDF SMILES Flexibase

44828983

Analogs

34956358

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)butanethioamide (2S)-2-(6,7-dihydro-4H-thieno[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)	1.09	5.23	-15.76	2	3	0	46	268.407	3	↓ MOL2 SDF SMILES Flexibase

44828984

Analogs

34956358
42010608
19411416

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pentanethioamide (2R)-2-(6,7-dihydro-4H-thieno[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)	1.65	5.82	-6.38	2	3	0	46	282.434	4	↓ MOL2 SDF SMILES Flexibase

44828986

Analogs

34956358
42010608
19411416

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pentanethioamide (2S)-2-(6,7-dihydro-4H-thieno[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)	1.65	6.09	-6.53	2	3	0	46	282.434	4	↓ MOL2 SDF SMILES Flexibase

44828987

Analogs

34956358

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methyl-butanethioamide (2R)-2-(6,7-dihydro-4H-thieno[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)	2.09	5.58	-6.11	2	3	0	46	282.434	3	↓ MOL2 SDF SMILES Flexibase

44828989

Analogs

34956358

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3-methyl-butanethioamide (2S)-2-(6,7-dihydro-4H-thieno[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)	2.09	5.86	-6.8	2	3	0	46	282.434	3	↓ MOL2 SDF SMILES Flexibase

44992258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl]amino]-N,N-dimethyl-propanamide 3-[[2-(6,7-dihydro-4H-thieno[3,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.46	5.44	-49.58	2	5	1	57	296.416	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.46	4.06	-12.33	1	5	0	53	295.408	5	↓ MOL2 SDF SMILES Flexibase

44994294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl]amino]-N-methyl-propanamide 3-[[2-(6,7-dihydro-4H-thieno[3,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.26	3.48	-49.81	3	5	1	66	282.389	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.26	2.12	-12.29	2	5	0	61	281.381	5	↓ MOL2 SDF SMILES Flexibase

44994479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxo-ethyl]urea 1-cyclopropyl-3-[2-(6,7-dihydro-…

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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)	0.73	3.76	-9.58	2	5	0	61	279.365	3	↓ MOL2 SDF SMILES Flexibase

44996330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-5-[(1-cyclopropyltetrazol-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)	2.54	7.39	-13.38	0	5	0	47	343.481	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.54	9.45	-47.89	1	5	1	48	344.489	4	↓ MOL2 SDF SMILES Flexibase

44996331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-(2-thienyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (4R)-5-[(1-cyclopropyltetrazol-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)	2.54	7.61	-8.25	0	5	0	47	343.481	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.54	9.76	-39.19	1	5	1	48	344.489	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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