ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36153877

Analogs

36153880
36209178
36209180
36209196
36209198

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(isobutylamino)-2-oxo-1-(4-piperidyl)ethyl]thiophene-2-carboxamide N-[(1R)-2-(isobutylamino)-2-oxo-…

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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)	1.45	4.32	-44.83	4	5	1	75	324.47	6	↓ MOL2 SDF SMILES Flexibase

36153880

Analogs

36209178
36209180
36209196
36209198
36209199

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(isobutylamino)-2-oxo-1-(4-piperidyl)ethyl]thiophene-2-carboxamide N-[(1S)-2-(isobutylamino)-2-oxo-…

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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)	1.45	4.35	-44.37	4	5	1	75	324.47	6	↓ MOL2 SDF SMILES Flexibase

36153883

Analogs

36153886
36209250
36209252
36209258
36209259

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(4-piperidyl)ethyl]thiophene-2-carboxamide N-[(1R)-2-(2-methoxyethylamino)-…

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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)	0.32	1.87	-45.53	4	6	1	84	326.442	7	↓ MOL2 SDF SMILES Flexibase

36153886

Analogs

36209250
36209252
36209267
36209269
36209271

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(2-methoxyethylamino)-2-oxo-1-(4-piperidyl)ethyl]thiophene-2-carboxamide N-[(1S)-2-(2-methoxyethylamino)-…

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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)	0.32	1.93	-42.66	4	6	1	84	326.442	7	↓ MOL2 SDF SMILES Flexibase

36153894

Analogs

36153897

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(3-methoxypropylamino)-2-oxo-1-(4-piperidyl)ethyl]thiophene-2-carboxamide N-[(1R)-2-(3-methoxypropylamino)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.59	2.62	-45.45	4	6	1	84	340.469	8	↓ MOL2 SDF SMILES Flexibase

36153897

Analogs

36153894

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(3-methoxypropylamino)-2-oxo-1-(4-piperidyl)ethyl]thiophene-2-carboxamide N-[(1S)-2-(3-methoxypropylamino)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.59	2.68	-45.13	4	6	1	84	340.469	8	↓ MOL2 SDF SMILES Flexibase

36212258

Analogs

36212262
36212263
36212268
36212269
36212276

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1-acetyl-4-piperidyl)-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1R)-1-(1-acetyl-4-piperidyl)…

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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)	1.17	5.22	-17.87	2	6	0	79	351.472	6	↓ MOL2 SDF SMILES Flexibase

36212259

Analogs

36212268
36212269
36212276
35699096
35699098

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1-acetyl-4-piperidyl)-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1S)-1-(1-acetyl-4-piperidyl)…

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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)	1.17	5.02	-20.42	2	6	0	79	351.472	6	↓ MOL2 SDF SMILES Flexibase

36212262

Analogs

36212263
36209186
36209188
36209199
36209201

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1R)-1-[1-(2-methylpropanoyl)…

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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)	2.25	7.81	-21.38	2	6	0	79	379.526	7	↓ MOL2 SDF SMILES Flexibase

36212263

Analogs

36209186
36209188
36212262
36209199
36209201

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1S)-1-[1-(2-methylpropanoyl)…

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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)	2.25	6.14	-17.1	2	6	0	79	379.526	7	↓ MOL2 SDF SMILES Flexibase

36212266

Analogs

36212268
36212269
36212276
35699096
35699098

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1R)-1-[1-(3-methylbutanoyl)-…

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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)	2.78	8.72	-20.29	2	6	0	79	393.553	8	↓ MOL2 SDF SMILES Flexibase

36212267

Analogs

36212268
36212269
36212276
35699096
35699098

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1S)-1-[1-(3-methylbutanoyl)-…

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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)	2.78	7.13	-18.19	2	6	0	79	393.553	8	↓ MOL2 SDF SMILES Flexibase

36212268

Analogs

36212269
36212276
36212277
35699098
35699096

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-oxo-1-(1-propanoyl-4-piperidyl)-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1R)-2-oxo-1-(1-propanoyl-4-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)	2.00	7.34	-21.01	2	6	0	79	365.499	7	↓ MOL2 SDF SMILES Flexibase

36212269

Analogs

36212276
36212277
35699098
35699096
36153877

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-oxo-1-(1-propanoyl-4-piperidyl)-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1S)-2-oxo-1-(1-propanoyl-4-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)	2.00	5.76	-18.97	2	6	0	79	365.499	7	↓ MOL2 SDF SMILES Flexibase

36212276

Analogs

36212277
35699098
35699096
36153877
36153880

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[1-(3,3-dimethylbutanoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1R)-1-[1-(3,3-dimethylbutano…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	9.23	-19.36	2	6	0	79	407.58	8	↓ MOL2 SDF SMILES Flexibase

36212277

Analogs

35699096
35699098
36153877
36153880
36209178

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[1-(3,3-dimethylbutanoyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1S)-1-[1-(3,3-dimethylbutano…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	7.64	-17.2	2	6	0	79	407.58	8	↓ MOL2 SDF SMILES Flexibase

36212288

Analogs

36212289
36209221
36209222

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[1-(2-methoxyacetyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1R)-1-[1-(2-methoxyacetyl)-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)	1.11	6.73	-23.68	2	7	0	88	381.498	8	↓ MOL2 SDF SMILES Flexibase

36212289

Analogs

36209221
36209222
36212288

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[1-(2-methoxyacetyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1S)-1-[1-(2-methoxyacetyl)-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)	1.11	5.14	-22.07	2	7	0	88	381.498	8	↓ MOL2 SDF SMILES Flexibase

36212318

Analogs

36212319
36212324
36212326
36212327
36212334

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-ethyl]thiophene-2-carboxamide N-[(1R)-2-(diethylamino)-1-[1-(2…

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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)	2.37	7.87	-14.47	1	6	0	70	393.553	7	↓ MOL2 SDF SMILES Flexibase

36212319

Analogs

36212324
36212326
36212327
36212334
36212335

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(diethylamino)-1-[1-(2-methylpropanoyl)-4-piperidyl]-2-oxo-ethyl]thiophene-2-carboxamide N-[(1S)-2-(diethylamino)-1-[1-(2…

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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)	2.37	8.33	-17.44	1	6	0	70	393.553	7	↓ MOL2 SDF SMILES Flexibase

36212324

Analogs

36212325
36212326
36212327
36212334
36212335

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-ethyl]thiophene-2-carboxamide N-[(1R)-2-(diethylamino)-1-[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)	2.90	8.88	-14.75	1	6	0	70	407.58	8	↓ MOL2 SDF SMILES Flexibase

36212325

Analogs

36212326
36212327
36212334
36212335
36212324

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(diethylamino)-1-[1-(3-methylbutanoyl)-4-piperidyl]-2-oxo-ethyl]thiophene-2-carboxamide N-[(1S)-2-(diethylamino)-1-[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)	2.90	9.23	-18.7	1	6	0	70	407.58	8	↓ MOL2 SDF SMILES Flexibase

36212326

Analogs

36212327
36212334
36212335
36212318
36212319

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(diethylamino)-2-oxo-1-(1-propanoyl-4-piperidyl)ethyl]thiophene-2-carboxamide N-[(1S)-2-(diethylamino)-2-oxo-1…

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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)	2.12	7.75	-19.79	1	6	0	70	379.526	7	↓ MOL2 SDF SMILES Flexibase

36212327

Analogs

36212334
36212335
36212318
36212319
36212324

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-2-oxo-1-(1-propanoyl-4-piperidyl)ethyl]thiophene-2-carboxamide N-[(1R)-2-(diethylamino)-2-oxo-1…

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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)	2.12	8.47	-23.26	1	6	0	70	379.526	7	↓ MOL2 SDF SMILES Flexibase

36212334

Analogs

36212335
36212318
36212319
36212324
36212325

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-1-[1-(3,3-dimethylbutanoyl)-4-piperidyl]-2-oxo-ethyl]thiophene-2-carboxamid N-[(1R)-2-(diethylamino)-1-[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)	3.22	9.31	-13.91	1	6	0	70	421.607	8	↓ MOL2 SDF SMILES Flexibase

36212335

Analogs

36212318
36212319
36212324
36212325
36212326

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(diethylamino)-1-[1-(3,3-dimethylbutanoyl)-4-piperidyl]-2-oxo-ethyl]thiophene-2-carboxamid N-[(1S)-2-(diethylamino)-1-[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)	3.22	9.69	-18.06	1	6	0	70	421.607	8	↓ MOL2 SDF SMILES Flexibase

36212346

Analogs

36212347
36208986
36208987

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-1-[1-(2-methoxyacetyl)-4-piperidyl]-2-oxo-ethyl]thiophene-2-carboxamide N-[(1R)-2-(diethylamino)-1-[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)	1.23	6.81	-18.61	1	7	0	79	395.525	8	↓ MOL2 SDF SMILES Flexibase

36212347

Analogs

36208986
36208987
36212346

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(diethylamino)-1-[1-(2-methoxyacetyl)-4-piperidyl]-2-oxo-ethyl]thiophene-2-carboxamide N-[(1S)-2-(diethylamino)-1-[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)	1.23	7.19	-23.04	1	7	0	79	395.525	8	↓ MOL2 SDF SMILES Flexibase

36213516

Analogs

36213518
36213520
36213522
36213841
36213843

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(1R)-2-oxo-2-(propylamino)-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxami N-tert-butyl-4-[(1R)-2-oxo-2-(pr…

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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)	3.19	6.26	-17.35	3	7	0	91	408.568	7	↓ MOL2 SDF SMILES Flexibase

36213518

Analogs

36213520
36213522
36213841
36213843
36213844

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(1S)-2-oxo-2-(propylamino)-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxami N-tert-butyl-4-[(1S)-2-oxo-2-(pr…

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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)	3.19	6	-19.66	3	7	0	91	408.568	7	↓ MOL2 SDF SMILES Flexibase

36213520

Analogs

36213522
36213841
36213843
36213844
36213846

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-4-[(1R)-2-oxo-2-(propylamino)-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamid N-isopropyl-4-[(1R)-2-oxo-2-(pro…

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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)	2.68	7.13	-21.01	3	7	0	91	394.541	7	↓ MOL2 SDF SMILES Flexibase

36213522

Analogs

36213841
36213843
36213844
36213846
36213516

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-4-[(1S)-2-oxo-2-(propylamino)-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamid N-isopropyl-4-[(1S)-2-oxo-2-(pro…

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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)	2.68	5.48	-19.76	3	7	0	91	394.541	7	↓ MOL2 SDF SMILES Flexibase

36213532

Analogs

36213533
36213534
36213535

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(1R)-2-(diethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxam N-tert-butyl-4-[(1R)-2-(diethyla…

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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)	3.31	7.6	-15.11	2	7	0	82	422.595	7	↓ MOL2 SDF SMILES Flexibase

36213533

Analogs

36213534
36213535
36213532

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(1S)-2-(diethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxam N-tert-butyl-4-[(1S)-2-(diethyla…

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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)	3.31	8	-18.73	2	7	0	82	422.595	7	↓ MOL2 SDF SMILES Flexibase

36213534

Analogs

36213535
36213532
36213533

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(diethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]-N-isopropyl-piperidine-1-carboxam 4-[(1R)-2-(diethylamino)-2-oxo-1…

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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)	2.80	7.21	-15.92	2	7	0	82	408.568	7	↓ MOL2 SDF SMILES Flexibase

36213535

Analogs

36213532
36213533
36213534

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(diethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]-N-isopropyl-piperidine-1-carboxam 4-[(1S)-2-(diethylamino)-2-oxo-1…

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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)	2.80	7.6	-19.61	2	7	0	82	408.568	7	↓ MOL2 SDF SMILES Flexibase

36213841

Analogs

36213843
36213844
36213846
36213516
36213518

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(1R)-2-(isobutylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxa N-tert-butyl-4-[(1R)-2-(isobutyl…

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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)	3.44	8.25	-19.75	3	7	0	91	422.595	7	↓ MOL2 SDF SMILES Flexibase

36213843

Analogs

36213844
36213846
36213516
36213518
36213520

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(1S)-2-(isobutylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxa N-tert-butyl-4-[(1S)-2-(isobutyl…

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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)	3.44	6.62	-18.48	3	7	0	91	422.595	7	↓ MOL2 SDF SMILES Flexibase

36213844

Analogs

36213846
36213516
36213518
36213520
36213522

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(isobutylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]-N-isopropyl-piperidine-1-carboxa 4-[(1R)-2-(isobutylamino)-2-oxo-…

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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	7.88	-20.46	3	7	0	91	408.568	7	↓ MOL2 SDF SMILES Flexibase

36213846

Analogs

36213516
36213518
36213520
36213522
36213841

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(isobutylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]-N-isopropyl-piperidine-1-carboxa 4-[(1S)-2-(isobutylamino)-2-oxo-…

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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	6.24	-19.57	3	7	0	91	408.568	7	↓ MOL2 SDF SMILES Flexibase

36213863

Analogs

36213864
35749505
35749507

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-4-[(1S)-2-(3-methoxypropylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-c N-isopropyl-4-[(1S)-2-(3-methoxy…

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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)	2.06	4.62	-19.52	3	8	0	100	424.567	9	↓ MOL2 SDF SMILES Flexibase

36213864

Analogs

35749505
35749507
36213863

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-4-[(1R)-2-(3-methoxypropylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-c N-isopropyl-4-[(1R)-2-(3-methoxy…

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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)	2.06	6.2	-21.93	3	8	0	100	424.567	9	↓ MOL2 SDF SMILES Flexibase

36213868

Analogs

36213869

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-2-(allylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]-N-isopropyl-piperidine-1-carboxamid 4-[(1S)-2-(allylamino)-2-oxo-1-(…

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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)	2.45	5.42	-19.97	3	7	0	91	392.525	7	↓ MOL2 SDF SMILES Flexibase

36213869

Analogs

36213868

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-(allylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]-N-isopropyl-piperidine-1-carboxamid 4-[(1R)-2-(allylamino)-2-oxo-1-(…

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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)	2.45	5.32	-17.63	3	7	0	91	392.525	7	↓ MOL2 SDF SMILES Flexibase

36214428

Analogs

36214430

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[1-(ethylcarbamothioyl)-4-piperidyl]-2-(2-methoxyethylamino)-2-oxo-ethyl]thiophene-2-carbo N-[(1S)-1-[1-(ethylcarbamothioyl…

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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)	1.48	5.22	-21.92	3	7	0	83	412.581	10	↓ MOL2 SDF SMILES Flexibase

36214430

Analogs

36214428

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[1-(ethylcarbamothioyl)-4-piperidyl]-2-(2-methoxyethylamino)-2-oxo-ethyl]thiophene-2-carbo N-[(1R)-1-[1-(ethylcarbamothioyl…

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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)	1.48	6.8	-23.25	3	7	0	83	412.581	10	↓ MOL2 SDF SMILES Flexibase

36214583

Analogs

36214584
35749643
35749646

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[1-(ethylcarbamothioyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1R)-1-[1-(ethylcarbamothioyl…

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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)	2.37	8.46	-22.95	3	6	0	73	396.582	9	↓ MOL2 SDF SMILES Flexibase

36214584

Analogs

35749643
35749646
36214583

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[1-(ethylcarbamothioyl)-4-piperidyl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide N-[(1S)-1-[1-(ethylcarbamothioyl…

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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)	2.37	6.82	-23.24	3	6	0	73	396.582	9	↓ MOL2 SDF SMILES Flexibase

36214590

Analogs

36214591

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(diethylamino)-1-[1-(ethylcarbamothioyl)-4-piperidyl]-2-oxo-ethyl]thiophene-2-carboxamide N-[(1S)-2-(diethylamino)-1-[1-(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)	2.49	8.95	-22.36	2	6	0	65	410.609	9	↓ MOL2 SDF SMILES Flexibase

36214591

Analogs

36214590

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(diethylamino)-1-[1-(ethylcarbamothioyl)-4-piperidyl]-2-oxo-ethyl]thiophene-2-carboxamide N-[(1R)-2-(diethylamino)-1-[1-(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)	2.49	9.42	-28.26	2	6	0	65	410.609	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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