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62887472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-3-methylpyrrolidin-3-yl]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)	1.46	5.18	-42.26	2	3	1	37	251.375	1	↓ MOL2 SDF SMILES Flexibase

62887474

Analogs

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Popular Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-3-methylpyrrolidin-3-yl]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)	1.46	5.18	-45.59	2	3	1	37	251.375	1	↓ MOL2 SDF SMILES Flexibase

62887476

Analogs

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Popular Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-3-ethylpyrrolidin-3-yl]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)	1.80	5.72	-51.22	2	3	1	37	265.402	2	↓ MOL2 SDF SMILES Flexibase

62887477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-3-ethylpyrrolidin-3-yl]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)	1.80	5.68	-44.58	2	3	1	37	265.402	2	↓ MOL2 SDF SMILES Flexibase

62887480

Analogs

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Popular Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3S)-3-propylpyrrolidin-3-yl]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)	2.36	6.48	-51.58	2	3	1	37	279.429	3	↓ MOL2 SDF SMILES Flexibase

62887482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-3-propylpyrrolidin-3-yl]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)	2.36	6.47	-44.37	2	3	1	37	279.429	3	↓ MOL2 SDF SMILES Flexibase

62895451

Analogs

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Popular Name: [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(4R)-4-ethyl-6,7-dihydro-4H-thi…

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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	6.73	-45.26	2	3	1	37	279.429	2	↓ MOL2 SDF SMILES Flexibase

62895452

Analogs

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Popular Name: [(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(4S)-4-ethyl-6,7-dihydro-4H-thi…

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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	6.7	-44.43	2	3	1	37	279.429	2	↓ MOL2 SDF SMILES Flexibase

62895453

Analogs

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Popular Name: [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-3-methylpyrrolidin-3-yl]methanone [(4R)-4-ethyl-6,7-dihydro-4H-thi…

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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	6.66	-44.38	2	3	1	37	279.429	2	↓ MOL2 SDF SMILES Flexibase

62895454

Analogs

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Popular Name: [(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-3-methylpyrrolidin-3-yl]methanone [(4S)-4-ethyl-6,7-dihydro-4H-thi…

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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	6.69	-44.77	2	3	1	37	279.429	2	↓ MOL2 SDF SMILES Flexibase

62895455

Analogs

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Popular Name: [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3R)-3-ethylpyrrolidin-3-yl]methanone [(4R)-4-ethyl-6,7-dihydro-4H-thi…

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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)	2.86	7.05	-48.54	2	3	1	37	293.456	3	↓ MOL2 SDF SMILES Flexibase

62895456

Analogs

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Popular Name: [(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3R)-3-ethylpyrrolidin-3-yl]methanone [(4S)-4-ethyl-6,7-dihydro-4H-thi…

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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)	2.86	7.2	-49.67	2	3	1	37	293.456	3	↓ MOL2 SDF SMILES Flexibase

62895457

Analogs

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Popular Name: [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-3-ethylpyrrolidin-3-yl]methanone [(4R)-4-ethyl-6,7-dihydro-4H-thi…

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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)	2.86	7.25	-52.07	2	3	1	37	293.456	3	↓ MOL2 SDF SMILES Flexibase

62895458

Analogs

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Popular Name: [(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-3-ethylpyrrolidin-3-yl]methanone [(4S)-4-ethyl-6,7-dihydro-4H-thi…

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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)	2.86	7.12	-50.39	2	3	1	37	293.456	3	↓ MOL2 SDF SMILES Flexibase

62895459

Analogs

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Popular Name: [(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-3-propylpyrrolidin-3-yl]methanone [(4S)-4-ethyl-6,7-dihydro-4H-thi…

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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)	3.42	7.92	-50.68	2	3	1	37	307.483	4	↓ MOL2 SDF SMILES Flexibase

62895460

Analogs

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Popular Name: [(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3R)-3-propylpyrrolidin-3-yl]methanone [(4S)-4-ethyl-6,7-dihydro-4H-thi…

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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)	3.42	7.95	-50.03	2	3	1	37	307.483	4	↓ MOL2 SDF SMILES Flexibase

62895461

Analogs

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Popular Name: [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-3-propylpyrrolidin-3-yl]methanone [(4R)-4-ethyl-6,7-dihydro-4H-thi…

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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)	3.42	8.04	-52.54	2	3	1	37	307.483	4	↓ MOL2 SDF SMILES Flexibase

62895462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3R)-3-propylpyrrolidin-3-yl]methanone [(4R)-4-ethyl-6,7-dihydro-4H-thi…

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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)	3.42	7.79	-48.91	2	3	1	37	307.483	4	↓ MOL2 SDF SMILES Flexibase

62897116

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	5.64	-44.06	2	3	1	37	265.402	1	↓ MOL2 SDF SMILES Flexibase

62897118

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	5.77	-44.82	2	3	1	37	265.402	1	↓ MOL2 SDF SMILES Flexibase

62897119

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	5.68	-44.43	2	3	1	37	265.402	1	↓ MOL2 SDF SMILES Flexibase

62897123

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	5.76	-42.54	2	3	1	37	265.402	1	↓ MOL2 SDF SMILES Flexibase

62897126

Analogs

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

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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)	2.36	6.29	-50.96	2	3	1	37	279.429	2	↓ MOL2 SDF SMILES Flexibase

62897127

Analogs

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

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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)	2.36	6.26	-49.68	2	3	1	37	279.429	2	↓ MOL2 SDF SMILES Flexibase

62897129

Analogs

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

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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)	2.36	6.1	-49.66	2	3	1	37	279.429	2	↓ MOL2 SDF SMILES Flexibase

62897131

Analogs

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

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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)	2.36	6.06	-48.47	2	3	1	37	279.429	2	↓ MOL2 SDF SMILES Flexibase

62897133

Analogs

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

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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)	2.92	7.06	-51.31	2	3	1	37	293.456	3	↓ MOL2 SDF SMILES Flexibase

62897135

Analogs

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

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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)	2.92	7.03	-49.94	2	3	1	37	293.456	3	↓ MOL2 SDF SMILES Flexibase

62897138

Analogs

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

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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)	2.92	6.86	-50.02	2	3	1	37	293.456	3	↓ MOL2 SDF SMILES Flexibase

62897140

Analogs

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

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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)	2.92	6.77	-48.81	2	3	1	37	293.456	3	↓ MOL2 SDF SMILES Flexibase

62902435

Analogs

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

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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)	0.89	5.8	-73.44	2	5	0	77	294.376	2	↓ MOL2 SDF SMILES Flexibase

62902437

Analogs

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

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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)	0.89	5.79	-74	2	5	0	77	294.376	2	↓ MOL2 SDF SMILES Flexibase

62902439

Analogs

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

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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)	0.89	6.5	-82.34	2	5	0	77	294.376	2	↓ MOL2 SDF SMILES Flexibase

62902441

Analogs

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

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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)	0.89	6.61	-83.49	2	5	0	77	294.376	2	↓ MOL2 SDF SMILES Flexibase

62902443

Analogs

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

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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)	1.23	6.24	-89.9	2	5	0	77	308.403	3	↓ MOL2 SDF SMILES Flexibase

62902446

Analogs

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

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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)	1.23	6.22	-73.9	2	5	0	77	308.403	3	↓ MOL2 SDF SMILES Flexibase

62902448

Analogs

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

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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)	1.23	6.89	-102.46	2	5	0	77	308.403	3	↓ MOL2 SDF SMILES Flexibase

62902450

Analogs

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

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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)	1.23	7.07	-98.22	2	5	0	77	308.403	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 299749
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 = 299749 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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