ZINC 12

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ZINC Item

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36978071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1S)-1-(2-thienyl)propyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1S)-1-(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)	3.37	4.06	-6.52	1	4	0	43	292.404	8	↓ MOL2 SDF SMILES Flexibase

36978073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1R)-1-(2-thienyl)propyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1R)-1-(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)	3.37	4.06	-6.55	1	4	0	43	292.404	8	↓ MOL2 SDF SMILES Flexibase

36978087

Analogs

36397638

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(5-methyl-2-thienyl)methyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(5-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)	2.53	3.95	-7.19	1	4	0	43	278.377	7	↓ MOL2 SDF SMILES Flexibase

36978093

Analogs

40086948
8018745

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(5-chloro-2-thienyl)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)	3.11	3.74	-7.21	1	4	0	43	298.795	7	↓ MOL2 SDF SMILES Flexibase

36978212

Analogs

36397638

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-(2-thienylmethyl)pyridin-3-amine 6-(2-methoxyethoxy)-N-(2-thienyl…

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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)	2.31	3.11	-7.05	1	4	0	43	264.35	7	↓ MOL2 SDF SMILES Flexibase

36978226

Analogs

12484805

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(3-methyl-2-thienyl)methyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(3-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)	2.69	3.69	-7	1	4	0	43	278.377	7	↓ MOL2 SDF SMILES Flexibase

36978276

Analogs

38001585
38001586
38002641
38002642

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-thienyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(5-bromo-2-thienyl)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)	3.24	3.84	-7.19	1	4	0	43	343.246	7	↓ MOL2 SDF SMILES Flexibase

36978280

Analogs

40086948

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(1S)-1-(5-chloro-2-thienyl)et…

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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)	3.67	4.42	-6.81	1	4	0	43	312.822	7	↓ MOL2 SDF SMILES Flexibase

36978282

Analogs

40086948

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(1R)-1-(5-chloro-2-thienyl)et…

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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)	3.67	4.42	-6.82	1	4	0	43	312.822	7	↓ MOL2 SDF SMILES Flexibase

36978325

Analogs

41203885
41203887

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1R)-1-(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)	3.09	4.63	-6.97	1	4	0	43	292.404	7	↓ MOL2 SDF SMILES Flexibase

36978327

Analogs

41203885
41203887

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1S)-1-(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)	3.09	4.64	-6.9	1	4	0	43	292.404	7	↓ MOL2 SDF SMILES Flexibase

36978352

Analogs

38001585
38001586

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1S)-1-(2-thienyl)ethyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1S)-1-(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)	2.87	3.79	-6.79	1	4	0	43	278.377	7	↓ MOL2 SDF SMILES Flexibase

36978354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2-methoxyethoxy)-N-[(1R)-1-(2-thienyl)ethyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1R)-1-(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)	2.87	3.79	-6.76	1	4	0	43	278.377	7	↓ MOL2 SDF SMILES Flexibase

36978486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-2-thienyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine N-[(4-bromo-2-thienyl)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)	3.05	3.72	-7.13	1	4	0	43	343.246	7	↓ MOL2 SDF SMILES Flexibase

37070319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1S)-1-(2-thienyl)propyl]pyridin-3-amine 2-methoxy-N-[(1S)-1-(2-thienyl)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)	3.26	4.11	-6.1	1	3	0	34	248.351	5	↓ MOL2 SDF SMILES Flexibase

37070320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1R)-1-(2-thienyl)propyl]pyridin-3-amine 2-methoxy-N-[(1R)-1-(2-thienyl)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)	3.26	4.1	-6.06	1	3	0	34	248.351	5	↓ MOL2 SDF SMILES Flexibase

37070332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(5-methyl-2-thienyl)methyl]pyridin-3-amine 2-methoxy-N-[(5-methyl-2-thienyl…

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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)	2.42	3.91	-6.1	1	3	0	34	234.324	4	↓ MOL2 SDF SMILES Flexibase

37070336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-methoxy-pyridin-3-amine N-[(5-chloro-2-thienyl)methyl]-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)	3.00	3.69	-5.77	1	3	0	34	254.742	4	↓ MOL2 SDF SMILES Flexibase

37070472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-(thiophen-2-ylmethyl)pyridin-3-amine 2-methoxy-N-(thiophen-2-ylmethyl…

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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)	2.20	3.07	-5.92	1	3	0	34	220.297	4	↓ MOL2 SDF SMILES Flexibase

37070480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(3-methyl-2-thienyl)methyl]pyridin-3-amine 2-methoxy-N-[(3-methyl-2-thienyl…

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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)	2.58	3.64	-5.82	1	3	0	34	234.324	4	↓ MOL2 SDF SMILES Flexibase

37070562

Analogs

38002877
38002878

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-thienyl)methyl]-2-methoxy-pyridin-3-amine N-[(5-bromo-2-thienyl)methyl]-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)	3.14	3.79	-5.8	1	3	0	34	299.193	4	↓ MOL2 SDF SMILES Flexibase

37070573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-2-methoxy-pyridin-3-amine N-[(1S)-1-(5-chloro-2-thienyl)et…

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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)	3.56	4.4	-6.18	1	3	0	34	268.769	4	↓ MOL2 SDF SMILES Flexibase

37070574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-2-methoxy-pyridin-3-amine N-[(1R)-1-(5-chloro-2-thienyl)et…

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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)	3.56	4.39	-6.2	1	3	0	34	268.769	4	↓ MOL2 SDF SMILES Flexibase

37070617

Analogs

41204283
41204285

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]pyridin-3-amine 2-methoxy-N-[(1R)-1-(5-methyl-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)	2.98	4.6	-6.38	1	3	0	34	248.351	4	↓ MOL2 SDF SMILES Flexibase

37070618

Analogs

41204283
41204285

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]pyridin-3-amine 2-methoxy-N-[(1S)-1-(5-methyl-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)	2.98	4.6	-6.37	1	3	0	34	248.351	4	↓ MOL2 SDF SMILES Flexibase

37070655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1S)-1-(2-thienyl)ethyl]pyridin-3-amine 2-methoxy-N-[(1S)-1-(2-thienyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	3.77	-6.2	1	3	0	34	234.324	4	↓ MOL2 SDF SMILES Flexibase

37070656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(1R)-1-(2-thienyl)ethyl]pyridin-3-amine 2-methoxy-N-[(1R)-1-(2-thienyl)e…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	3.77	-6.19	1	3	0	34	234.324	4	↓ MOL2 SDF SMILES Flexibase

37070820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-methoxy-pyridin-3-amine N-[(4-bromo-2-thienyl)methyl]-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)	2.94	3.68	-5.78	1	3	0	34	299.193	4	↓ MOL2 SDF SMILES Flexibase

55481659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-thienyl)methyl]-6-nitro-pyridin-3-amine N-[(5-bromo-2-thienyl)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)	3.25	6.87	-12.53	1	5	0	71	314.164	4	↓ MOL2 SDF SMILES Flexibase

70089518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methoxy-N-[(1R)-1-(3-methyl-2-thienyl)ethyl]pyridin-3-amine 6-methoxy-N-[(1R)-1-(3-methyl-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)	3.36	4.15	-5.17	1	3	0	34	248.351	4	↓ MOL2 SDF SMILES Flexibase

70089519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methoxy-N-[(1S)-1-(3-methyl-2-thienyl)ethyl]pyridin-3-amine 6-methoxy-N-[(1S)-1-(3-methyl-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)	3.36	4.13	-5.19	1	3	0	34	248.351	4	↓ MOL2 SDF SMILES Flexibase

70090360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methylsulfonyl-N-[(1R)-1-(3-methyl-2-thienyl)ethyl]pyridin-3-amine 6-methylsulfonyl-N-[(1R)-1-(3-me…

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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)	2.77	3.08	-13.27	1	4	0	59	296.417	4	↓ MOL2 SDF SMILES Flexibase

70090361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methylsulfonyl-N-[(1S)-1-(3-methyl-2-thienyl)ethyl]pyridin-3-amine 6-methylsulfonyl-N-[(1S)-1-(3-me…

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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)	2.77	3.07	-13.28	1	4	0	59	296.417	4	↓ MOL2 SDF SMILES Flexibase

70090403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-methyl-2-thienyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine N-[(1R)-1-(3-methyl-2-thienyl)et…

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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)	4.28	5.55	-5.15	1	3	0	34	316.348	6	↓ MOL2 SDF SMILES Flexibase

70090404

Analogs

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Popular Name: N-[(1S)-1-(3-methyl-2-thienyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine N-[(1S)-1-(3-methyl-2-thienyl)et…

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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)	4.28	5.54	-5.21	1	3	0	34	316.348	6	↓ MOL2 SDF SMILES Flexibase

70090431

Analogs

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Popular Name: N4,N4-dimethyl-N3-[(1R)-1-(3-methyl-2-thienyl)ethyl]pyridine-3,4-diamine N4,N4-dimethyl-N3-[(1R)-1-(3-met…

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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)	2.99	7.35	-31.87	2	3	1	29	262.402	4	↓ MOL2 SDF SMILES Flexibase

70090432

Analogs

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Popular Name: N4,N4-dimethyl-N3-[(1S)-1-(3-methyl-2-thienyl)ethyl]pyridine-3,4-diamine N4,N4-dimethyl-N3-[(1S)-1-(3-met…

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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)	2.99	7.34	-31.91	2	3	1	29	262.402	4	↓ MOL2 SDF SMILES Flexibase

70090438

Analogs

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Popular Name: 2-methoxy-N4,N4-dimethyl-N3-[(1R)-1-(3-methyl-2-thienyl)ethyl]pyridine-3,4-diamine 2-methoxy-N4,N4-dimethyl-N3-[(1R…

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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	6.74	-30.19	2	4	1	39	292.428	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.17	5.85	-4.33	1	4	0	37	291.42	5	↓ MOL2 SDF SMILES Flexibase

70090439

Analogs

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Popular Name: 2-methoxy-N4,N4-dimethyl-N3-[(1S)-1-(3-methyl-2-thienyl)ethyl]pyridine-3,4-diamine 2-methoxy-N4,N4-dimethyl-N3-[(1S…

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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	6.7	-30.19	2	4	1	39	292.428	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.17	5.82	-4.4	1	4	0	37	291.42	5	↓ MOL2 SDF SMILES Flexibase

70090663

Analogs

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Popular Name: 6-(2-methoxyethoxy)-N-[(1R)-1-(3-methyl-2-thienyl)ethyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1R)-1-(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)	3.25	4.36	-6.85	1	4	0	43	292.404	7	↓ MOL2 SDF SMILES Flexibase

70090664

Analogs

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Popular Name: 6-(2-methoxyethoxy)-N-[(1S)-1-(3-methyl-2-thienyl)ethyl]pyridin-3-amine 6-(2-methoxyethoxy)-N-[(1S)-1-(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)	3.25	4.35	-6.83	1	4	0	43	292.404	7	↓ MOL2 SDF SMILES Flexibase

70090689

Analogs

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Popular Name: N2,N2-dimethyl-N5-[(1R)-1-(3-methyl-2-thienyl)ethyl]pyridine-2,5-diamine N2,N2-dimethyl-N5-[(1R)-1-(3-met…

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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)	3.40	7.62	-26.67	2	3	1	29	262.402	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.40	7.28	-5.47	1	3	0	28	261.394	4	↓ MOL2 SDF SMILES Flexibase

70090690

Analogs

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Popular Name: N2,N2-dimethyl-N5-[(1S)-1-(3-methyl-2-thienyl)ethyl]pyridine-2,5-diamine N2,N2-dimethyl-N5-[(1S)-1-(3-met…

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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)	3.40	7.61	-26.73	2	3	1	29	262.402	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.40	7.27	-5.44	1	3	0	28	261.394	4	↓ MOL2 SDF SMILES Flexibase

70090814

Analogs

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Popular Name: N2,N2-diethyl-N5-[(1S)-1-(3-methyl-2-thienyl)ethyl]pyridine-2,5-diamine N2,N2-diethyl-N5-[(1S)-1-(3-meth…

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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)	4.15	9.52	-26.51	2	3	1	29	290.456	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.15	9.13	-4.87	1	3	0	28	289.448	6	↓ MOL2 SDF SMILES Flexibase

70090815

Analogs

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Popular Name: N2,N2-diethyl-N5-[(1R)-1-(3-methyl-2-thienyl)ethyl]pyridine-2,5-diamine N2,N2-diethyl-N5-[(1R)-1-(3-meth…

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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)	4.15	9.52	-26.48	2	3	1	29	290.456	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.15	9.14	-4.85	1	3	0	28	289.448	6	↓ MOL2 SDF SMILES Flexibase

70090862

Analogs

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Popular Name: 2-ethoxy-N-[(1S)-1-(3-methyl-2-thienyl)ethyl]pyridin-3-amine 2-ethoxy-N-[(1S)-1-(3-methyl-2-t…

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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	5.26	-6.24	1	3	0	34	262.378	5	↓ MOL2 SDF SMILES Flexibase

70090863

Analogs

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Popular Name: 2-ethoxy-N-[(1R)-1-(3-methyl-2-thienyl)ethyl]pyridin-3-amine 2-ethoxy-N-[(1R)-1-(3-methyl-2-t…

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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	5.26	-6.22	1	3	0	34	262.378	5	↓ MOL2 SDF SMILES Flexibase

70090868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2,N2-dimethyl-N3-[(1R)-1-(3-methyl-2-thienyl)ethyl]pyridine-2,3-diamine N2,N2-dimethyl-N3-[(1R)-1-(3-met…

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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)	3.18	8.03	-28.17	2	3	1	29	262.402	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.18	7.53	-5.91	1	3	0	28	261.394	4	↓ MOL2 SDF SMILES Flexibase

70090869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N2,N2-dimethyl-N3-[(1S)-1-(3-methyl-2-thienyl)ethyl]pyridine-2,3-diamine N2,N2-dimethyl-N3-[(1S)-1-(3-met…

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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)	3.18	7.99	-28.19	2	3	1	29	262.402	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.18	7.51	-5.86	1	3	0	28	261.394	4	↓ MOL2 SDF SMILES Flexibase

70091014

Analogs

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Popular Name: 2-methoxy-N-[(1R)-1-(3-methyl-2-thienyl)ethyl]pyridin-3-amine 2-methoxy-N-[(1R)-1-(3-methyl-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)	3.14	4.33	-6.3	1	3	0	34	248.351	4	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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