ZINC 12

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ZINC Item

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36870292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,6-dimethyl-piperidine-3-carboxamide (3S,6R)-N-[(3R)-1,1-dioxothiolan…

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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)	0.07	1.63	-57.84	2	5	1	71	275.394	2	↓ MOL2 SDF SMILES Flexibase

36870293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,6-dimethyl-piperidine-3-carboxamide (3S,6S)-N-[(3R)-1,1-dioxothiolan…

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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)	0.07	1.66	-61.51	2	5	1	71	275.394	2	↓ MOL2 SDF SMILES Flexibase

36870294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,6-dimethyl-piperidine-3-carboxamide (3R,6R)-N-[(3R)-1,1-dioxothiolan…

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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)	0.07	1.61	-60.47	2	5	1	71	275.394	2	↓ MOL2 SDF SMILES Flexibase

36870295

Analogs

37809590
37809591
37809592
37809593

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,6-dimethyl-piperidine-3-carboxamide (3R,6S)-N-[(3R)-1,1-dioxothiolan…

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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)	0.07	1.61	-56.79	2	5	1	71	275.394	2	↓ MOL2 SDF SMILES Flexibase

62852310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-piperidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	0.05	0.6	-46.46	3	5	1	80	275.394	3	↓ MOL2 SDF SMILES Flexibase

62852311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-piperidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	0.05	0.64	-47.99	3	5	1	80	275.394	3	↓ MOL2 SDF SMILES Flexibase

62852312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-piperidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	0.05	0.62	-47.01	3	5	1	80	275.394	3	↓ MOL2 SDF SMILES Flexibase

62852313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-piperidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	0.05	0.66	-46.48	3	5	1	80	275.394	3	↓ MOL2 SDF SMILES Flexibase

62852314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-piperidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	-0.28	0.21	-45.71	3	5	1	80	261.367	2	↓ MOL2 SDF SMILES Flexibase

62852315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-piperidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	-0.28	0.21	-46.6	3	5	1	80	261.367	2	↓ MOL2 SDF SMILES Flexibase

62852316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-piperidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	-0.28	0.22	-46.15	3	5	1	80	261.367	2	↓ MOL2 SDF SMILES Flexibase

62852317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-piperidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	-0.28	0.23	-45.63	3	5	1	80	261.367	2	↓ MOL2 SDF SMILES Flexibase

62852318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-propyl-piperidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	0.61	1.36	-46.95	3	5	1	80	289.421	4	↓ MOL2 SDF SMILES Flexibase

62852319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-propyl-piperidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	0.61	1.41	-48.53	3	5	1	80	289.421	4	↓ MOL2 SDF SMILES Flexibase

62852320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-propyl-piperidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	0.61	1.38	-47.52	3	5	1	80	289.421	4	↓ MOL2 SDF SMILES Flexibase

62852321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-propyl-piperidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	0.61	1.42	-46.98	3	5	1	80	289.421	4	↓ MOL2 SDF SMILES Flexibase

62854436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-N-methyl-piperidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	-0.03	1.71	-62.06	2	5	1	71	289.421	3	↓ MOL2 SDF SMILES Flexibase

62854437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-N-methyl-piperidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	-0.03	1.84	-55.07	2	5	1	71	289.421	3	↓ MOL2 SDF SMILES Flexibase

62854438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-N-methyl-piperidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	-0.03	1.73	-57.01	2	5	1	71	289.421	3	↓ MOL2 SDF SMILES Flexibase

62854439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethyl-N-methyl-piperidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	-0.03	1.86	-56.46	2	5	1	71	289.421	3	↓ MOL2 SDF SMILES Flexibase

62854440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	-0.36	1.18	-46.57	2	5	1	71	275.394	2	↓ MOL2 SDF SMILES Flexibase

62854441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	-0.36	1.23	-44.99	2	5	1	71	275.394	2	↓ MOL2 SDF SMILES Flexibase

62854442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-piperidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	-0.36	1.18	-46.78	2	5	1	71	275.394	2	↓ MOL2 SDF SMILES Flexibase

62854443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-piperidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	-0.36	1.25	-47.87	2	5	1	71	275.394	2	↓ MOL2 SDF SMILES Flexibase

62854832

Analogs

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Popular Name: (3S)-3-ethyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(3R)-3-methyl-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)	0.50	1.11	-45.4	3	5	1	80	289.421	3	↓ MOL2 SDF SMILES Flexibase

62854833

Analogs

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Popular Name: (3R)-3-ethyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(3R)-3-methyl-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)	0.50	1.1	-44.99	3	5	1	80	289.421	3	↓ MOL2 SDF SMILES Flexibase

62854834

Analogs

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Popular Name: (3S)-3-ethyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]piperidine-3-carboxamide (3S)-3-ethyl-N-[(3S)-3-methyl-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)	0.50	1.05	-46.85	3	5	1	80	289.421	3	↓ MOL2 SDF SMILES Flexibase

62854835

Analogs

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Popular Name: (3R)-3-ethyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]piperidine-3-carboxamide (3R)-3-ethyl-N-[(3S)-3-methyl-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)	0.50	1.11	-46.02	3	5	1	80	289.421	3	↓ MOL2 SDF SMILES Flexibase

62854836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]piperidine-3-carboxamide (3S)-3-methyl-N-[(3R)-3-methyl-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)	0.17	0.71	-44.56	3	5	1	80	275.394	2	↓ MOL2 SDF SMILES Flexibase

62854837

Analogs

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Popular Name: (3R)-3-methyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]piperidine-3-carboxamide (3R)-3-methyl-N-[(3R)-3-methyl-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)	0.17	0.71	-44.13	3	5	1	80	275.394	2	↓ MOL2 SDF SMILES Flexibase

62854838

Analogs

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Popular Name: (3S)-3-methyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]piperidine-3-carboxamide (3S)-3-methyl-N-[(3S)-3-methyl-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)	0.17	0.66	-45.93	3	5	1	80	275.394	2	↓ MOL2 SDF SMILES Flexibase

62854839

Analogs

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Popular Name: (3R)-3-methyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]piperidine-3-carboxamide (3R)-3-methyl-N-[(3S)-3-methyl-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)	0.17	0.66	-45.28	3	5	1	80	275.394	2	↓ MOL2 SDF SMILES Flexibase

62856552

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)-3-methyl-piperidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	-0.38	1.55	-45.14	2	6	1	80	319.447	5	↓ MOL2 SDF SMILES Flexibase

62856553

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Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)-3-methyl-piperidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-3-…

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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	1.62	-44.38	2	6	1	80	319.447	5	↓ MOL2 SDF SMILES Flexibase

62856554

Analogs

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Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)-3-methyl-piperidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	-0.38	1.37	-46.87	2	6	1	80	319.447	5	↓ MOL2 SDF SMILES Flexibase

62856555

Analogs

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Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxyethyl)-3-methyl-piperidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	-0.38	1.44	-47.93	2	6	1	80	319.447	5	↓ MOL2 SDF SMILES Flexibase

62856608

Analogs

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Popular Name: (3R)-N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-piperidine-3-carboxamide (3R)-N-butyl-N-[(3R)-1,1-dioxoth…

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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)	1.07	3.54	-45.25	2	5	1	71	317.475	5	↓ MOL2 SDF SMILES Flexibase

62856609

Analogs

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Popular Name: (3R)-N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-piperidine-3-carboxamide (3R)-N-butyl-N-[(3S)-1,1-dioxoth…

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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)	1.07	3.54	-48.24	2	5	1	71	317.475	5	↓ MOL2 SDF SMILES Flexibase

62856610

Analogs

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Popular Name: (3S)-N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-piperidine-3-carboxamide (3S)-N-butyl-N-[(3R)-1,1-dioxoth…

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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)	1.07	3.6	-46.29	2	5	1	71	317.475	5	↓ MOL2 SDF SMILES Flexibase

62856611

Analogs

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Popular Name: (3S)-N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-piperidine-3-carboxamide (3S)-N-butyl-N-[(3S)-1,1-dioxoth…

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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)	1.07	3.61	-46.68	2	5	1	71	317.475	5	↓ MOL2 SDF SMILES Flexibase

62856668

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,3-diethyl-piperidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	0.34	2.69	-58.64	2	5	1	71	303.448	4	↓ MOL2 SDF SMILES Flexibase

62856669

Analogs

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Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,3-diethyl-piperidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	0.34	2.24	-55.27	2	5	1	71	303.448	4	↓ MOL2 SDF SMILES Flexibase

62856670

Analogs

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Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-diethyl-piperidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	0.34	2.22	-54.69	2	5	1	71	303.448	4	↓ MOL2 SDF SMILES Flexibase

62856671

Analogs

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Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-diethyl-piperidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	0.34	2.63	-56.38	2	5	1	71	303.448	4	↓ MOL2 SDF SMILES Flexibase

62856672

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Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-3-methyl-piperidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	0.01	1.97	-45.14	2	5	1	71	289.421	3	↓ MOL2 SDF SMILES Flexibase

62856673

Analogs

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Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-methyl-piperidine-3-carboxamide (3R)-N-[(3S)-1,1-dioxothiolan-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)	0.01	2.01	-47.88	2	5	1	71	289.421	3	↓ MOL2 SDF SMILES Flexibase

62856674

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-3-methyl-piperidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	0.01	2.06	-45.76	2	5	1	71	289.421	3	↓ MOL2 SDF SMILES Flexibase

62856675

Analogs

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Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-methyl-piperidine-3-carboxamide (3S)-N-[(3S)-1,1-dioxothiolan-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)	0.01	2.08	-46.52	2	5	1	71	289.421	3	↓ MOL2 SDF SMILES Flexibase

62856942

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (3S)-N-[(3R)-1,1-dioxothiolan-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)	-0.66	-0.05	-61.99	3	6	1	91	319.447	5	↓ MOL2 SDF SMILES Flexibase

62856943

Analogs

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Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide (3R)-N-[(3R)-1,1-dioxothiolan-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)	-0.66	-0.59	-56.76	3	6	1	91	319.447	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

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 = 117845 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "117845"        

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