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ZINC Item

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40024457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(5-bromothiophene-2-carbonyl)-4-piperidyl]methanesulfonamide N-[1-(5-bromothiophene-2-carbony…

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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)	1.76	2.02	-15.02	1	5	0	66	367.29	3	↓ MOL2 SDF SMILES Flexibase

40232150

Analogs

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Popular Name: (3S,6R)-1-(5-bromothiophene-2-carbonyl)-6-methyl-piperidine-3-carboxamide (3S,6R)-1-(5-bromothiophene-2-ca…

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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)	2.04	3.33	-9.46	2	4	0	63	331.235	2	↓ MOL2 SDF SMILES Flexibase

40232152

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-(5-bromothiophene-2-carbonyl)-6-methyl-piperidine-3-carboxamide (3S,6S)-1-(5-bromothiophene-2-ca…

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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)	2.04	3.42	-8.55	2	4	0	63	331.235	2	↓ MOL2 SDF SMILES Flexibase

40232154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-(5-bromothiophene-2-carbonyl)-6-methyl-piperidine-3-carboxamide (3R,6R)-1-(5-bromothiophene-2-ca…

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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)	2.04	3.37	-8.79	2	4	0	63	331.235	2	↓ MOL2 SDF SMILES Flexibase

40232156

Analogs

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Popular Name: (3R,6S)-1-(5-bromothiophene-2-carbonyl)-6-methyl-piperidine-3-carboxamide (3R,6S)-1-(5-bromothiophene-2-ca…

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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)	2.04	3.79	-12.1	2	4	0	63	331.235	2	↓ MOL2 SDF SMILES Flexibase

40232162

Analogs

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Popular Name: N-[2-[(2S)-1-(5-bromothiophene-2-carbonyl)-2-piperidyl]ethyl]methanesulfonamide N-[2-[(2S)-1-(5-bromothiophene-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)	2.53	3.4	-15.32	1	5	0	66	395.344	5	↓ MOL2 SDF SMILES Flexibase

40232164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R)-1-(5-bromothiophene-2-carbonyl)-2-piperidyl]ethyl]methanesulfonamide N-[2-[(2R)-1-(5-bromothiophene-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)	2.53	3.52	-14.85	1	5	0	66	395.344	5	↓ MOL2 SDF SMILES Flexibase

40232178

Analogs

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Popular Name: (5-bromo-2-thienyl)-(4-ethyl-1-piperidyl)methanone (5-bromo-2-thienyl)-(4-ethyl-1-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)	4.04	7.36	-6.03	0	2	0	20	302.237	2	↓ MOL2 SDF SMILES Flexibase

40232229

Analogs

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Popular Name: (5-bromo-2-thienyl)-[4-[[butyl(methyl)amino]methyl]-1-piperidyl]methanone (5-bromo-2-thienyl)-[4-[[butyl(m…

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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)	4.45	10.26	-47.58	1	3	1	25	374.368	6	↓ MOL2 SDF SMILES Flexibase

40232231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-thienyl)-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone (5-bromo-2-thienyl)-[4-[[isoprop…

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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	9.25	-44.87	1	3	1	25	360.341	4	↓ MOL2 SDF SMILES Flexibase

40232233

Analogs

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Popular Name: (5-bromo-2-thienyl)-[4-(dimethylaminomethyl)-1-piperidyl]methanone (5-bromo-2-thienyl)-[4-(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)	3.01	8.06	-44.33	1	3	1	25	332.287	3	↓ MOL2 SDF SMILES Flexibase

40232234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-bromothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide 1-(5-bromothiophene-2-carbonyl)-…

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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)	1.73	2.57	-14.94	2	5	0	70	375.288	5	↓ MOL2 SDF SMILES Flexibase

40232245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-thienyl)-[4-(diethylamino)-1-piperidyl]methanone (5-bromo-2-thienyl)-[4-(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)	3.38	8.16	-41.68	1	3	1	25	346.314	4	↓ MOL2 SDF SMILES Flexibase

40232289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]piperidine-4-carboxamide 1-[5-(3-hydroxyprop-1-ynyl)thiop…

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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	1.05	-18.18	3	5	0	84	292.36	2	↓ MOL2 SDF SMILES Flexibase

40232291

Analogs

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Popular Name: 1-[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]piperidine-4-carboxamide 1-[5-(4-hydroxybut-1-ynyl)thioph…

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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)	0.86	1.83	-16.78	3	5	0	84	306.387	3	↓ MOL2 SDF SMILES Flexibase

40232313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-(4-methyl-1-piperidyl)methanone [5-(3-hydroxyprop-1-ynyl)-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)	2.23	4.98	-10.21	1	3	0	41	263.362	1	↓ MOL2 SDF SMILES Flexibase

40232315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-(4-methyl-1-piperidyl)methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	2.50	5.74	-8.64	1	3	0	41	277.389	2	↓ MOL2 SDF SMILES Flexibase

40232351

Analogs

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Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-[(2R)-2-methyl-1-piperidyl]methanone [5-(3-hydroxyprop-1-ynyl)-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)	2.32	5	-9.94	1	3	0	41	263.362	1	↓ MOL2 SDF SMILES Flexibase

40232352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-[(2S)-2-methyl-1-piperidyl]methanone [5-(3-hydroxyprop-1-ynyl)-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)	2.32	5.02	-9.82	1	3	0	41	263.362	1	↓ MOL2 SDF SMILES Flexibase

40232354

Analogs

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Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-[(2R)-2-methyl-1-piperidyl]methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	2.59	5.77	-7.89	1	3	0	41	277.389	2	↓ MOL2 SDF SMILES Flexibase

40232356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-[(2S)-2-methyl-1-piperidyl]methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	2.59	5.78	-7.81	1	3	0	41	277.389	2	↓ MOL2 SDF SMILES Flexibase

40232430

Analogs

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Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-[(3R)-3-methyl-1-piperidyl]methanone [5-(3-hydroxyprop-1-ynyl)-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)	2.23	4.96	-10.51	1	3	0	41	263.362	1	↓ MOL2 SDF SMILES Flexibase

40232432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-[(3S)-3-methyl-1-piperidyl]methanone [5-(3-hydroxyprop-1-ynyl)-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)	2.23	5.02	-10.44	1	3	0	41	263.362	1	↓ MOL2 SDF SMILES Flexibase

40232434

Analogs

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Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-[(3R)-3-methyl-1-piperidyl]methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	2.50	5.74	-8.6	1	3	0	41	277.389	2	↓ MOL2 SDF SMILES Flexibase

40232436

Analogs

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Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-[(3S)-3-methyl-1-piperidyl]methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	2.50	5.8	-8.48	1	3	0	41	277.389	2	↓ MOL2 SDF SMILES Flexibase

40232665

Analogs

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Popular Name: (3S)-1-[5-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]piperidine-3-carboxamide (3S)-1-[5-(3-hydroxyprop-1-ynyl)…

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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	1	-13.15	3	5	0	84	292.36	2	↓ MOL2 SDF SMILES Flexibase

40232667

Analogs

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Popular Name: (3R)-1-[5-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]piperidine-3-carboxamide (3R)-1-[5-(3-hydroxyprop-1-ynyl)…

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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	1.09	-13.38	3	5	0	84	292.36	2	↓ MOL2 SDF SMILES Flexibase

40232669

Analogs

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Popular Name: (3S)-1-[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]piperidine-3-carboxamide (3S)-1-[5-(4-hydroxybut-1-ynyl)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)	0.86	1.77	-11.49	3	5	0	84	306.387	3	↓ MOL2 SDF SMILES Flexibase

40232671

Analogs

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Popular Name: (3R)-1-[5-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]piperidine-3-carboxamide (3R)-1-[5-(4-hydroxybut-1-ynyl)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)	0.86	1.85	-11.48	3	5	0	84	306.387	3	↓ MOL2 SDF SMILES Flexibase

40232712

Analogs

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Popular Name: (4-hydroxy-1-piperidyl)-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone (4-hydroxy-1-piperidyl)-[5-(3-hy…

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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)	0.11	1.02	-12.16	2	4	0	61	265.334	1	↓ MOL2 SDF SMILES Flexibase

40232714

Analogs

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Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-(4-hydroxy-1-piperidyl)methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	0.38	1.79	-10.55	2	4	0	61	279.361	2	↓ MOL2 SDF SMILES Flexibase

40232818

Analogs

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Popular Name: [(2S,6R)-2,6-dimethyl-1-piperidyl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [(2S,6R)-2,6-dimethyl-1-piperidy…

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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)	2.65	5.21	-10.51	1	3	0	41	277.389	1	↓ MOL2 SDF SMILES Flexibase

40232820

Analogs

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Popular Name: [(2S,6S)-2,6-dimethyl-1-piperidyl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [(2S,6S)-2,6-dimethyl-1-piperidy…

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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)	2.65	5.55	-9.84	1	3	0	41	277.389	1	↓ MOL2 SDF SMILES Flexibase

40232822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethyl-1-piperidyl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [(2R,6R)-2,6-dimethyl-1-piperidy…

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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)	2.65	5.54	-10.07	1	3	0	41	277.389	1	↓ MOL2 SDF SMILES Flexibase

40232824

Analogs

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Popular Name: [(2S,6R)-2,6-dimethyl-1-piperidyl]-[5-(4-hydroxybut-1-ynyl)-2-thienyl]methanone [(2S,6R)-2,6-dimethyl-1-piperidy…

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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	5.99	-8.21	1	3	0	41	291.416	2	↓ MOL2 SDF SMILES Flexibase

40232826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethyl-1-piperidyl]-[5-(4-hydroxybut-1-ynyl)-2-thienyl]methanone [(2S,6S)-2,6-dimethyl-1-piperidy…

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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	6.32	-7.89	1	3	0	41	291.416	2	↓ MOL2 SDF SMILES Flexibase

40232828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethyl-1-piperidyl]-[5-(4-hydroxybut-1-ynyl)-2-thienyl]methanone [(2R,6R)-2,6-dimethyl-1-piperidy…

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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	6.31	-7.95	1	3	0	41	291.416	2	↓ MOL2 SDF SMILES Flexibase

40232842

Analogs

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Popular Name: [(3S,5R)-3,5-dimethyl-1-piperidyl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [(3S,5R)-3,5-dimethyl-1-piperidy…

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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)	2.71	5.55	-10.17	1	3	0	41	277.389	1	↓ MOL2 SDF SMILES Flexibase

40232844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,5S)-3,5-dimethyl-1-piperidyl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [(3S,5S)-3,5-dimethyl-1-piperidy…

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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)	2.71	5.79	-10.09	1	3	0	41	277.389	1	↓ MOL2 SDF SMILES Flexibase

40232846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,5R)-3,5-dimethyl-1-piperidyl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [(3R,5R)-3,5-dimethyl-1-piperidy…

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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)	2.71	5.86	-10.09	1	3	0	41	277.389	1	↓ MOL2 SDF SMILES Flexibase

40232848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,5R)-3,5-dimethyl-1-piperidyl]-[5-(4-hydroxybut-1-ynyl)-2-thienyl]methanone [(3S,5R)-3,5-dimethyl-1-piperidy…

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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	6.33	-8.27	1	3	0	41	291.416	2	↓ MOL2 SDF SMILES Flexibase

40232850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,5S)-3,5-dimethyl-1-piperidyl]-[5-(4-hydroxybut-1-ynyl)-2-thienyl]methanone [(3S,5S)-3,5-dimethyl-1-piperidy…

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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	6.56	-8.24	1	3	0	41	291.416	2	↓ MOL2 SDF SMILES Flexibase

40232852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,5R)-3,5-dimethyl-1-piperidyl]-[5-(4-hydroxybut-1-ynyl)-2-thienyl]methanone [(3R,5R)-3,5-dimethyl-1-piperidy…

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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	6.63	-8.17	1	3	0	41	291.416	2	↓ MOL2 SDF SMILES Flexibase

40232907

Analogs

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Popular Name: [(2R)-2-(2-hydroxyethyl)-1-piperidyl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [(2R)-2-(2-hydroxyethyl)-1-piper…

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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)	1.62	2.33	-13.37	2	4	0	61	293.388	3	↓ MOL2 SDF SMILES Flexibase

40232909

Analogs

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Popular Name: [(2S)-2-(2-hydroxyethyl)-1-piperidyl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [(2S)-2-(2-hydroxyethyl)-1-piper…

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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)	1.62	2.19	-13.59	2	4	0	61	293.388	3	↓ MOL2 SDF SMILES Flexibase

40232911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	1.89	3.09	-11.63	2	4	0	61	307.415	4	↓ MOL2 SDF SMILES Flexibase

40232913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	1.89	2.95	-12.05	2	4	0	61	307.415	4	↓ MOL2 SDF SMILES Flexibase

40233104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]-(4-methoxy-1-piperidyl)methanone [5-(3-hydroxyprop-1-ynyl)-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)	0.72	3.38	-11.39	1	4	0	50	279.361	2	↓ MOL2 SDF SMILES Flexibase

40233106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-(4-methoxy-1-piperidyl)methanone [5-(4-hydroxybut-1-ynyl)-2-thien…

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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)	0.99	4.14	-9.77	1	4	0	50	293.388	3	↓ MOL2 SDF SMILES Flexibase

40233137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(dimethylamino)-1-piperidyl]-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone [4-(dimethylamino)-1-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)	1.50	5.39	-47.23	2	4	1	45	293.412	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 6793
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 6793 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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