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ZINC Item

Suppliers, Protomers, & Similar Substances

52875114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dimethyl dimethyl

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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	5.99	-11.43	2	7	0	94	362.407	9	↓ MOL2 SDF SMILES Flexibase

52890086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-isopropylanilino)-N-(2-thienylmethyl)acetamide 2-(N-isopropylanilino)-N-(2-thie…

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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)	3.62	7.84	-8.3	1	3	0	32	288.416	6	↓ MOL2 SDF SMILES Flexibase

53314700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(2-methyl-N-methylsulfonyl-anilino)-N-[(1S)-1-(2-thienyl)ethyl]acetamide N-methyl-2-(2-methyl-N-methylsul…

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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)	3.02	7.25	-22.78	0	5	0	58	366.508	6	↓ MOL2 SDF SMILES Flexibase

53314704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(2-methyl-N-methylsulfonyl-anilino)-N-[(1R)-1-(2-thienyl)ethyl]acetamide N-methyl-2-(2-methyl-N-methylsul…

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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)	3.02	7.24	-22.99	0	5	0	58	366.508	6	↓ MOL2 SDF SMILES Flexibase

58305783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methylanilino)-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-(2-methylanilino)-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)	3.66	6.33	-6.71	2	3	0	41	274.389	5	↓ MOL2 SDF SMILES Flexibase

58305786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methylanilino)-N-[(1R)-1-(2-thienyl)ethyl]acetamide 2-(2-methylanilino)-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)	3.66	6.33	-6.7	2	3	0	41	274.389	5	↓ MOL2 SDF SMILES Flexibase

58308142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-methyl-3-methylsulfanyl-anilino)-N-(2-thienylmethyl)acetamide 2-(N-methyl-3-methylsulfanyl-ani…

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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)	3.35	7.66	-10.69	1	3	0	32	306.456	6	↓ MOL2 SDF SMILES Flexibase

52450221

Analogs

32121021

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-thienylmethyl)-2-(N,2,4-trimethylanilino)acetamide N-(2-thienylmethyl)-2-(N,2,4-tri…

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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)	3.77	8.76	-8.13	1	3	0	32	288.416	5	↓ MOL2 SDF SMILES Flexibase

55156948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-bromo-2-methoxy-anilino)-N-(2-thienylmethyl)propanamide (2S)-2-(5-bromo-2-methoxy-anilin…

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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	5.46	-7.91	2	4	0	50	369.284	6	↓ MOL2 SDF SMILES Flexibase

55156949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-bromo-2-methoxy-anilino)-N-(2-thienylmethyl)propanamide (2R)-2-(5-bromo-2-methoxy-anilin…

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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	5.45	-7.83	2	4	0	50	369.284	6	↓ MOL2 SDF SMILES Flexibase

69737156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2R)-2-cyanopropyl]sulfanylanilino]-N-(2-thienylmethyl)acetamide 2-[2-[(2R)-2-cyanopropyl]sulfany…

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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)	3.62	7.72	-11.17	2	4	0	65	345.493	8	↓ MOL2 SDF SMILES Flexibase

69737157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2S)-2-cyanopropyl]sulfanylanilino]-N-(2-thienylmethyl)acetamide 2-[2-[(2S)-2-cyanopropyl]sulfany…

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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)	3.62	7.72	-11.19	2	4	0	65	345.493	8	↓ MOL2 SDF SMILES Flexibase

56162568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-acetamido-3-methoxy-anilino)-N-(2-thienylmethyl)propanamide (2S)-2-(4-acetamido-3-methoxy-an…

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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)	2.40	3.75	-12.47	3	6	0	79	347.44	7	↓ MOL2 SDF SMILES Flexibase

56162569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-acetamido-3-methoxy-anilino)-N-(2-thienylmethyl)propanamide (2R)-2-(4-acetamido-3-methoxy-an…

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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)	2.40	3.75	-12.17	3	6	0	79	347.44	7	↓ MOL2 SDF SMILES Flexibase

56170160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[3-(methanesulfonamido)-4-methoxy-anilino]-N-(2-thienylmethyl)propanamide (2S)-2-[3-(methanesulfonamido)-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	1.54	-53.93	2	7	-1	99	382.487	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.41	1.5	-16.24	3	7	0	97	383.495	8	↓ MOL2 SDF SMILES Flexibase

56170161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[3-(methanesulfonamido)-4-methoxy-anilino]-N-(2-thienylmethyl)propanamide (2R)-2-[3-(methanesulfonamido)-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	1.54	-53.86	2	7	-1	99	382.487	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.41	1.49	-15.78	3	7	0	97	383.495	8	↓ MOL2 SDF SMILES Flexibase

56171322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-[2-(dimethylamino)-2-oxo-ethyl]anilino]-N-(2-thienylmethyl)propanamide (2S)-2-[4-[2-(dimethylamino)-2-o…

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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)	2.28	6.35	-14.41	2	5	0	61	345.468	7	↓ MOL2 SDF SMILES Flexibase

56171323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-[2-(dimethylamino)-2-oxo-ethyl]anilino]-N-(2-thienylmethyl)propanamide (2R)-2-[4-[2-(dimethylamino)-2-o…

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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)	2.28	6.35	-13.87	2	5	0	61	345.468	7	↓ MOL2 SDF SMILES Flexibase

56173867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-chloro-3-fluoro-anilino)-N-(2-thienylmethyl)propanamide (2S)-2-(4-chloro-3-fluoro-anilin…

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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)	3.97	6	-8.82	2	3	0	41	312.797	5	↓ MOL2 SDF SMILES Flexibase

56173868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chloro-3-fluoro-anilino)-N-(2-thienylmethyl)propanamide (2R)-2-(4-chloro-3-fluoro-anilin…

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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)	3.97	6	-8.79	2	3	0	41	312.797	5	↓ MOL2 SDF SMILES Flexibase

69974956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-fluoro-4,5-dimethoxy-anilino)-N-(2-thienylmethyl)acetamide 2-(2-fluoro-4,5-dimethoxy-anilin…

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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)	2.44	4.01	-11.91	2	5	0	60	324.377	7	↓ MOL2 SDF SMILES Flexibase

49248091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyanoanilino)-N-[(3-methyl-2-thienyl)methyl]acetamide 2-(4-cyanoanilino)-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)	2.83	5.68	-10.49	2	4	0	65	285.372	5	↓ MOL2 SDF SMILES Flexibase

49248099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-ethylanilino)-N-[(3-methyl-2-thienyl)methyl]acetamide 2-(N-ethylanilino)-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)	3.70	8.14	-8.92	1	3	0	32	288.416	6	↓ MOL2 SDF SMILES Flexibase

49333087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-thienylmethyl)-2-(N,2,5-trimethylanilino)acetamide N-(2-thienylmethyl)-2-(N,2,5-tri…

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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)	3.77	8.75	-8.17	1	3	0	32	288.416	5	↓ MOL2 SDF SMILES Flexibase

49333124

Analogs

32111346
32121024

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-thienylmethyl)-2-(N,3,5-trimethylanilino)acetamide N-(2-thienylmethyl)-2-(N,3,5-tri…

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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)	3.77	7.97	-9.55	1	3	0	32	288.416	5	↓ MOL2 SDF SMILES Flexibase

49347357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-(4-cyanoanilino)acetamide 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)	3.26	5.74	-10.57	2	4	0	65	305.79	5	↓ MOL2 SDF SMILES Flexibase

49392222

Analogs

25894680
25948007

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-difluoroanilino)-N-(2-thienylmethyl)acetamide 2-(2,3-difluoroanilino)-N-(2-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)	2.93	4.85	-12.48	2	3	0	41	282.315	5	↓ MOL2 SDF SMILES Flexibase

49423236

Analogs

38263866
38263870
37821328

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-ethylanilino)-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-(N-ethylanilino)-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)	3.88	8.41	-8.31	1	3	0	32	288.416	6	↓ MOL2 SDF SMILES Flexibase

49423237

Analogs

38263866
38263870
37821328

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-ethylanilino)-N-[(1R)-1-(2-thienyl)ethyl]acetamide 2-(N-ethylanilino)-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)	3.88	8.41	-8.39	1	3	0	32	288.416	6	↓ MOL2 SDF SMILES Flexibase

49423367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-thienyl)methyl]-2-(N-ethylanilino)acetamide 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)	4.25	8.31	-8.45	1	3	0	32	353.285	6	↓ MOL2 SDF SMILES Flexibase

49423369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-(N-methylanilino)acetamide 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)	3.75	7.27	-8.86	1	3	0	32	294.807	5	↓ MOL2 SDF SMILES Flexibase

49423628

Analogs

37814147

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-(N-methylanilino)acetamide 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)	3.68	7.26	-8.89	1	3	0	32	339.258	5	↓ MOL2 SDF SMILES Flexibase

49423629

Analogs

37814147

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-(N-ethylanilino)acetamide 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)	4.06	8.19	-8.54	1	3	0	32	353.285	6	↓ MOL2 SDF SMILES Flexibase

49423798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-methylanilino)-N-[(1S)-1-(2-thienyl)propyl]acetamide 2-(N-methylanilino)-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)	4.01	8.09	-7.84	1	3	0	32	288.416	6	↓ MOL2 SDF SMILES Flexibase

49423799

Analogs

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Popular Name: 2-(N-methylanilino)-N-[(1R)-1-(2-thienyl)propyl]acetamide 2-(N-methylanilino)-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)	4.01	8.09	-7.93	1	3	0	32	288.416	6	↓ MOL2 SDF SMILES Flexibase

49425182

Analogs

37822024
37822025

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-methylanilino)-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(N-methylanilino)-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)	3.73	8.31	-8.74	1	3	0	32	288.416	5	↓ MOL2 SDF SMILES Flexibase

49425184

Analogs

37822024
37822025

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-methylanilino)-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-(N-methylanilino)-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)	3.73	8.31	-8.71	1	3	0	32	288.416	5	↓ MOL2 SDF SMILES Flexibase

37821328

Analogs

48755050
48755052
49423236
49423237

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]acetamide 2-anilino-N-methyl-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)	3.00	7.1	-8	1	3	0	32	274.389	5	↓ MOL2 SDF SMILES Flexibase

37821329

Analogs

48755050
48755052
49423236
49423237

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]acetamide 2-anilino-N-methyl-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)	3.00	7.09	-7.91	1	3	0	32	274.389	5	↓ MOL2 SDF SMILES Flexibase

37822024

Analogs

49425182
49425184

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-anilino-N-methyl-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)	3.22	7.92	-8.05	1	3	0	32	288.416	5	↓ MOL2 SDF SMILES Flexibase

37822025

Analogs

49425182
49425184

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]acetamide 2-anilino-N-methyl-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)	3.22	7.93	-8.22	1	3	0	32	288.416	5	↓ MOL2 SDF SMILES Flexibase

49532148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-[(1S)-1-(2-thienyl)propyl]acetamide 2-anilino-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)	3.76	6.14	-6.03	2	3	0	41	274.389	6	↓ MOL2 SDF SMILES Flexibase

49532149

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-[(1R)-1-(2-thienyl)propyl]acetamide 2-anilino-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)	3.76	6.14	-6.02	2	3	0	41	274.389	6	↓ MOL2 SDF SMILES Flexibase

49547071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-[(1S)-1-(2-thienyl)butyl]acetamide 2-anilino-N-[(1S)-1-(2-thienyl)b…

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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)	4.32	7.23	-8.03	2	3	0	41	288.416	7	↓ MOL2 SDF SMILES Flexibase

49547072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-[(1R)-1-(2-thienyl)butyl]acetamide 2-anilino-N-[(1R)-1-(2-thienyl)b…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.32	7.23	-7.99	2	3	0	41	288.416	7	↓ MOL2 SDF SMILES Flexibase

38018826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-anilino-N-[(5-bromo-2-thienyl)methyl]acetamide 2-anilino-N-[(5-bromo-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)	3.63	5.44	-6.87	2	3	0	41	325.231	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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