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51480518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methyl]ethanamine N-[[6-[(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)	2.97	9	-37.7	2	3	1	33	288.44	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.97	7.9	-27.33	2	3	1	29	288.44	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.97	9.27	-106.38	3	3	2	34	289.448	4	↓ MOL2 SDF SMILES Flexibase

51480520

Analogs

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Popular Name: N-[[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methyl]ethanamine N-[[6-[(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)	2.97	8.06	-37.7	2	3	1	33	288.44	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.97	7.1	-27.8	2	3	1	29	288.44	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.97	8.47	-105.42	3	3	2	34	289.448	4	↓ MOL2 SDF SMILES Flexibase

51480521

Analogs

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Popular Name: N-methyl-1-[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methanamine N-methyl-1-[6-[(4R)-4-methyl-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)	2.60	7.2	-38.52	2	3	1	33	274.413	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.60	6.17	-27.82	2	3	1	29	274.413	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.60	7.62	-104.32	3	3	2	34	275.421	3	↓ MOL2 SDF SMILES Flexibase

51480523

Analogs

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Popular Name: N-methyl-1-[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methanamine N-methyl-1-[6-[(4S)-4-methyl-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)	2.60	8.15	-38.48	2	3	1	33	274.413	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.60	6.98	-27.39	2	3	1	29	274.413	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.60	8.42	-105.3	3	3	2	34	275.421	3	↓ MOL2 SDF SMILES Flexibase

51480525

Analogs

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Popular Name: N-[[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methyl]propan-1-amine N-[[6-[(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)	3.47	9.75	-38.44	2	3	1	33	302.467	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.47	8.67	-27.49	2	3	1	29	302.467	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.47	10.02	-108.5	3	3	2	34	303.475	5	↓ MOL2 SDF SMILES Flexibase

51480527

Analogs

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Popular Name: N-[[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methyl]propan-1-amine N-[[6-[(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)	3.47	8.81	-38.4	2	3	1	33	302.467	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.47	7.87	-27.92	2	3	1	29	302.467	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.47	9.23	-107.6	3	3	2	34	303.475	5	↓ MOL2 SDF SMILES Flexibase

51480528

Analogs

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Popular Name: N-[[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methyl]propan-2-amine N-[[6-[(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)	3.27	8.59	-36.54	2	3	1	33	302.467	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.27	9.01	-103.4	3	3	2	34	303.475	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.27	7.78	-28.04	2	3	1	29	302.467	4	↓ MOL2 SDF SMILES Flexibase

51480529

Analogs

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Popular Name: N-[[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methyl]propan-2-amine N-[[6-[(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)	3.27	9.52	-36.29	2	3	1	33	302.467	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.27	9.81	-104.58	3	3	2	34	303.475	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.27	8.58	-27.5	2	3	1	29	302.467	4	↓ MOL2 SDF SMILES Flexibase

51480539

Analogs

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Popular Name: N-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]propan-1-amine N-[[2-[(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)	3.36	9.7	-38.49	2	3	1	33	302.467	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.36	10.18	-97.66	3	3	2	34	303.475	5	↓ MOL2 SDF SMILES Flexibase

51480541

Analogs

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Popular Name: N-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]propan-1-amine N-[[2-[(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)	3.36	9.22	-45.23	2	3	1	33	302.467	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.36	9.7	-103.7	3	3	2	34	303.475	5	↓ MOL2 SDF SMILES Flexibase

51480542

Analogs

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Popular Name: N-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]propan-2-amine N-[[2-[(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)	3.15	9.06	-42.32	2	3	1	33	302.467	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.15	9.53	-100.47	3	3	2	34	303.475	4	↓ MOL2 SDF SMILES Flexibase

51480544

Analogs

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Popular Name: N-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]propan-2-amine N-[[2-[(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)	3.15	9.36	-35.05	2	3	1	33	302.467	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.15	9.56	-94.92	3	3	2	34	303.475	4	↓ MOL2 SDF SMILES Flexibase

51480553

Analogs

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Popular Name: 1-[3-chloro-6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]-N-methyl-methanami 1-[3-chloro-6-[(4R)-4-methyl-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)	3.61	7.6	-34.62	2	3	1	33	308.858	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.61	6.16	-5.48	1	3	0	28	307.85	3	↓ MOL2 SDF SMILES Flexibase

51480555

Analogs

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Popular Name: 1-[3-chloro-6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]-N-methyl-methanami 1-[3-chloro-6-[(4S)-4-methyl-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)	3.61	8.54	-35.08	2	3	1	33	308.858	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.61	7.1	-4.89	1	3	0	28	307.85	3	↓ MOL2 SDF SMILES Flexibase

51480557

Analogs

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Popular Name: N-[[3-chloro-6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methyl]ethanamine N-[[3-chloro-6-[(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)	3.99	9.4	-34.54	2	3	1	33	322.885	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.99	8.03	-4.55	1	3	0	28	321.877	4	↓ MOL2 SDF SMILES Flexibase

51480559

Analogs

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Popular Name: N-[[3-chloro-6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methyl]ethanamine N-[[3-chloro-6-[(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)	3.99	8.46	-33.87	2	3	1	33	322.885	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.99	7.09	-5.24	1	3	0	28	321.877	4	↓ MOL2 SDF SMILES Flexibase

51480561

Analogs

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Popular Name: N-[[5-chloro-6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]ethanamine N-[[5-chloro-6-[(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)	3.51	9.48	-45.47	2	3	1	33	322.885	4	↓ MOL2 SDF SMILES Flexibase

51480563

Analogs

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Popular Name: N-[[5-chloro-6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]ethanamine N-[[5-chloro-6-[(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)	3.51	8.92	-45.75	2	3	1	33	322.885	4	↓ MOL2 SDF SMILES Flexibase

51480568

Analogs

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Popular Name: N-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-pyridyl]methyl]ethanamine N-[[2-[(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)	2.85	9.05	-43.94	2	3	1	33	288.44	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.85	7.68	-4.79	1	3	0	28	287.432	4	↓ MOL2 SDF SMILES Flexibase

51480569

Analogs

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Popular Name: N-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-pyridyl]methyl]ethanamine N-[[2-[(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)	2.85	8.11	-46.72	2	3	1	33	288.44	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.85	6.74	-5.16	1	3	0	28	287.432	4	↓ MOL2 SDF SMILES Flexibase

51480572

Analogs

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Popular Name: N-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-pyridyl]methyl]propan-1-amine N-[[2-[(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)	3.36	9.8	-44.77	2	3	1	33	302.467	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.36	8.45	-4.7	1	3	0	28	301.459	5	↓ MOL2 SDF SMILES Flexibase

51480574

Analogs

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Popular Name: N-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-pyridyl]methyl]propan-1-amine N-[[2-[(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)	3.36	8.86	-47.7	2	3	1	33	302.467	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.36	7.5	-5.09	1	3	0	28	301.459	5	↓ MOL2 SDF SMILES Flexibase

51480576

Analogs

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Popular Name: N-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-pyridyl]methyl]propan-2-amine N-[[2-[(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)	3.15	8.64	-45.1	2	3	1	33	302.467	4	↓ MOL2 SDF SMILES Flexibase

51480578

Analogs

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Popular Name: N-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-pyridyl]methyl]propan-2-amine N-[[2-[(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)	3.15	9.59	-42.23	2	3	1	33	302.467	4	↓ MOL2 SDF SMILES Flexibase

51480597

Analogs

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Popular Name: 1-[4,6-dimethyl-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]-N-methyl-metha 1-[4,6-dimethyl-2-[(4S)-4-methyl…

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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)	3.29	9.79	-89.33	3	3	2	34	303.475	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.29	8.25	-26.45	2	3	1	29	302.467	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.29	9.33	-36.99	2	3	1	33	302.467	3	↓ MOL2 SDF SMILES Flexibase

51480599

Analogs

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Popular Name: 1-[4,6-dimethyl-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]-N-methyl-metha 1-[4,6-dimethyl-2-[(4R)-4-methyl…

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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)	3.29	9.23	-98.76	3	3	2	34	303.475	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.29	8.81	-46.09	2	3	1	33	302.467	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.29	7.78	-25.18	2	3	1	29	302.467	3	↓ MOL2 SDF SMILES Flexibase

51480603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methanamine N-methyl-1-[6-[(4R)-4-methyl-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)	2.53	7.23	-44.86	2	3	1	33	274.413	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.53	7.7	-104.72	3	3	2	34	275.421	3	↓ MOL2 SDF SMILES Flexibase

51480605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methanamine N-methyl-1-[6-[(4S)-4-methyl-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)	2.53	8.18	-41.98	2	3	1	33	274.413	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.53	8.5	-102.53	3	3	2	34	275.421	3	↓ MOL2 SDF SMILES Flexibase

51480609

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]ethanamine N-[[6-[(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)	2.90	9.04	-41.58	2	3	1	33	288.44	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.90	9.36	-103.6	3	3	2	34	289.448	4	↓ MOL2 SDF SMILES Flexibase

51480612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]ethanamine N-[[6-[(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)	2.90	8.09	-44.09	2	3	1	33	288.44	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.90	8.56	-105.4	3	3	2	34	289.448	4	↓ MOL2 SDF SMILES Flexibase

51480613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]propan-1-amine N-[[6-[(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)	3.41	9.79	-42.51	2	3	1	33	302.467	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.41	10.11	-105.64	3	3	2	34	303.475	5	↓ MOL2 SDF SMILES Flexibase

51480616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]propan-1-amine N-[[6-[(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)	3.41	8.84	-45.01	2	3	1	33	302.467	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.41	9.31	-107.6	3	3	2	34	303.475	5	↓ MOL2 SDF SMILES Flexibase

51480619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]propan-2-amine N-[[6-[(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)	3.20	8.63	-42.49	2	3	1	33	302.467	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.20	9.09	-104.48	3	3	2	34	303.475	4	↓ MOL2 SDF SMILES Flexibase

51480621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]propan-2-amine N-[[6-[(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)	3.20	9.57	-39.7	2	3	1	33	302.467	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.20	9.9	-102.09	3	3	2	34	303.475	4	↓ MOL2 SDF SMILES Flexibase

51480630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-chloro-6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]-N-methyl-methanami 1-[5-chloro-6-[(4R)-4-methyl-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)	3.13	8.06	-46.38	2	3	1	33	308.858	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.13	6.62	-4.63	1	3	0	28	307.85	3	↓ MOL2 SDF SMILES Flexibase

51480632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-chloro-6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]-N-methyl-methanami 1-[5-chloro-6-[(4S)-4-methyl-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)	3.13	8.63	-46.27	2	3	1	33	308.858	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.13	7.19	-4.04	1	3	0	28	307.85	3	↓ MOL2 SDF SMILES Flexibase

51480660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-bromo-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]-N-methyl-methanamin 1-[5-bromo-2-[(4R)-4-methyl-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)	3.43	8.21	-47.55	2	3	1	33	353.309	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.43	6.83	-4.2	1	3	0	28	352.301	3	↓ MOL2 SDF SMILES Flexibase

51480662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-bromo-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]-N-methyl-methanamin 1-[5-bromo-2-[(4S)-4-methyl-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)	3.43	8.62	-39.66	2	3	1	33	353.309	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.43	7.15	-2.72	1	3	0	28	352.301	3	↓ MOL2 SDF SMILES Flexibase

51480665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-bromo-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]ethanamine N-[[5-bromo-2-[(4S)-4-methyl-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)	3.81	9.54	-38.65	2	3	1	33	367.336	4	↓ MOL2 SDF SMILES Flexibase

51480667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-bromo-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyridyl]methyl]ethanamine N-[[5-bromo-2-[(4R)-4-methyl-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)	3.81	9.07	-46.33	2	3	1	33	367.336	4	↓ MOL2 SDF SMILES Flexibase

52813334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridin-3-amine 5-methyl-6-[(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)	3.00	7.13	-28.84	3	3	1	43	260.386	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.00	6.67	-5.3	2	3	0	42	259.378	1	↓ MOL2 SDF SMILES Flexibase

52813335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridin-3-amine 5-methyl-6-[(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)	3.00	6.78	-27.59	3	3	1	43	260.386	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.00	6.33	-6.29	2	3	0	42	259.378	1	↓ MOL2 SDF SMILES Flexibase

19432269

Analogs

42780974
42780976
42780997
42780999
43396183

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carbothioamide 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)	2.16	7.39	-15.95	2	3	0	42	275.402	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.16	7.82	-50.01	3	3	1	43	276.41	2	↓ MOL2 SDF SMILES Flexibase

19432506

Analogs

43398888

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Popular Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carbonitrile 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)	2.11	7.1	-8.54	0	3	0	40	241.319	1	↓ MOL2 SDF SMILES Flexibase

19442104

Analogs

42780970
42780972

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carbothioamide 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)	2.16	5.77	-16.85	2	3	0	42	275.402	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.16	6.01	-53.64	3	3	1	43	276.41	2	↓ MOL2 SDF SMILES Flexibase

37066356

Analogs

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Popular Name: 2-tert-butoxy-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine 2-tert-butoxy-6-(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)	3.43	7.67	-5.38	2	4	0	51	303.431	3	↓ MOL2 SDF SMILES Flexibase

37066357

Analogs

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Popular Name: 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-isobutoxy-pyridin-3-amine 6-(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)	3.36	6.69	-5.96	2	4	0	51	303.431	4	↓ MOL2 SDF SMILES Flexibase

37066359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propoxy-pyridin-3-amine 6-(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)	3.12	6	-6.17	2	4	0	51	289.404	4	↓ MOL2 SDF SMILES Flexibase

37066360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-isopropoxy-pyridin-3-amine 6-(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)	2.98	6.12	-6.08	2	4	0	51	289.404	3	↓ MOL2 SDF SMILES Flexibase

37066361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethoxy-pyridin-3-amine 6-(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)	2.62	5.2	-6.32	2	4	0	51	275.377	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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