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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36870562

Analogs

44882168
44882170
44882173
44882176
44882370

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]piperidine-3-carboxylic (3S)-1-[[(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)	-0.22	3.27	-63.49	0	7	-1	98	303.36	2	↓ MOL2 SDF SMILES Flexibase

36870563

Analogs

44882168
44882170
44882173
44882176
44882370

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]piperidine-3-carboxylic (3S)-1-[[(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)	-0.22	3.29	-62.39	0	7	-1	98	303.36	2	↓ MOL2 SDF SMILES Flexibase

36870564

Analogs

44882168
44882170
44882173
44882176
44882370

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]piperidine-3-carboxylic (3R)-1-[[(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)	-0.22	3.24	-51.29	0	7	-1	98	303.36	2	↓ MOL2 SDF SMILES Flexibase

36870565

Analogs

44882168
44882170
44882173
44882176
44882370

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]piperidine-3-carboxylic (3R)-1-[[(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)	-0.22	3.25	-48.98	0	7	-1	98	303.36	2	↓ MOL2 SDF SMILES Flexibase

36870566

Analogs

44882179
44882182

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]piperidine-4-carboxylic 1-[[(3R)-1,1-dioxothiolan-3-yl]-…

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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)	-0.22	3.31	-61.27	0	7	-1	98	303.36	2	↓ MOL2 SDF SMILES Flexibase

36870567

Analogs

44882179
44882182

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]piperidine-4-carboxylic 1-[[(3S)-1,1-dioxothiolan-3-yl]-…

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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)	-0.22	3.32	-58.61	0	7	-1	98	303.36	2	↓ MOL2 SDF SMILES Flexibase

57292720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethoxy-piperidine-1-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)	0.82	1.48	-17.29	1	6	0	76	290.385	3	↓ MOL2 SDF SMILES Flexibase

57292721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-ethoxy-piperidine-1-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)	0.82	1.48	-17.26	1	6	0	76	290.385	3	↓ MOL2 SDF SMILES Flexibase

57292722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethoxy-piperidine-1-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)	0.82	1.49	-16.55	1	6	0	76	290.385	3	↓ MOL2 SDF SMILES Flexibase

57292723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-ethoxy-piperidine-1-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)	0.82	1.5	-16.66	1	6	0	76	290.385	3	↓ MOL2 SDF SMILES Flexibase

62842723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(3R)-1,1-dioxothiolan-3-yl]c…

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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)	0.33	2.33	-57.54	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

62842724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(3S)-1,1-dioxothiolan-3-yl]c…

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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)	0.33	2.35	-56.3	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

62843303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(3R)-1,1-dioxothiolan-3-yl]-…

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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)	0.02	3.49	-60.94	0	7	-1	98	317.387	2	↓ MOL2 SDF SMILES Flexibase

62843304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]-4-methyl-piperidine-4-carboxylic 1-[[(3S)-1,1-dioxothiolan-3-yl]-…

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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)	0.02	3.51	-60.5	0	7	-1	98	317.387	2	↓ MOL2 SDF SMILES Flexibase

62843846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(3R)-3-methyl-1,1-d…

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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)	0.77	2.65	-56.77	1	7	-1	107	317.387	2	↓ MOL2 SDF SMILES Flexibase

62843847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]carbamoyl]piperidine-4-carboxylic 4-methyl-1-[[(3S)-3-methyl-1,1-d…

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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)	0.77	2.6	-55.14	1	7	-1	107	317.387	2	↓ MOL2 SDF SMILES Flexibase

62846206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[[(3R)-1,1-dioxothiolan-3-yl]c…

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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	2.81	-56.76	1	7	-1	107	317.387	3	↓ MOL2 SDF SMILES Flexibase

62846207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]-4-ethyl-piperidine-4-carboxylic 1-[[(3S)-1,1-dioxothiolan-3-yl]c…

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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	2.79	-55.39	1	7	-1	107	317.387	3	↓ MOL2 SDF SMILES Flexibase

62872186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(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)	0.33	2.77	-60.79	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

62872187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(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)	0.33	2.78	-60.57	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

62872188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(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)	0.33	2.79	-59.67	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

62872189

Analogs

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Popular Name: (3R)-1-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(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)	0.33	2.79	-59.58	1	7	-1	107	303.36	2	↓ MOL2 SDF SMILES Flexibase

62872190

Analogs

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Popular Name: (3S)-1-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[[(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	3.23	-58.9	1	7	-1	107	317.387	3	↓ MOL2 SDF SMILES Flexibase

62872191

Analogs

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Popular Name: (3R)-1-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[[(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	3.26	-58.7	1	7	-1	107	317.387	3	↓ MOL2 SDF SMILES Flexibase

62872192

Analogs

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Popular Name: (3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[[(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)	0.66	3.25	-57.87	1	7	-1	107	317.387	3	↓ MOL2 SDF SMILES Flexibase

62872193

Analogs

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Popular Name: (3R)-1-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[[(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)	0.66	3.27	-57.7	1	7	-1	107	317.387	3	↓ MOL2 SDF SMILES Flexibase

62874134

Analogs

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Popular Name: (3S)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(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)	0.02	3.93	-49.56	0	7	-1	98	317.387	2	↓ MOL2 SDF SMILES Flexibase

62874135

Analogs

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Popular Name: (3R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(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)	0.02	3.93	-63.93	0	7	-1	98	317.387	2	↓ MOL2 SDF SMILES Flexibase

62874136

Analogs

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Popular Name: (3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[[(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)	0.02	3.95	-51.11	0	7	-1	98	317.387	2	↓ MOL2 SDF SMILES Flexibase

62874137

Analogs

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Popular Name: (3R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-carbamoyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[[(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)	0.02	3.96	-61.27	0	7	-1	98	317.387	2	↓ MOL2 SDF SMILES Flexibase

62876098

Analogs

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Popular Name: (3S)-3-methyl-1-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]carbamoyl]piperidine-3-carboxylic (3S)-3-methyl-1-[[(3R)-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)	0.77	3.16	-59.02	1	7	-1	107	317.387	2	↓ MOL2 SDF SMILES Flexibase

62876099

Analogs

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Popular Name: (3R)-3-methyl-1-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]carbamoyl]piperidine-3-carboxylic (3R)-3-methyl-1-[[(3R)-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)	0.77	3.17	-58.91	1	7	-1	107	317.387	2	↓ MOL2 SDF SMILES Flexibase

62876100

Analogs

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Popular Name: (3S)-3-methyl-1-[[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]carbamoyl]piperidine-3-carboxylic (3S)-3-methyl-1-[[(3S)-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)	0.77	3.06	-58.76	1	7	-1	107	317.387	2	↓ MOL2 SDF SMILES Flexibase

62876101

Analogs

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Popular Name: (3R)-3-methyl-1-[[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]carbamoyl]piperidine-3-carboxylic (3R)-3-methyl-1-[[(3S)-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)	0.77	3.07	-58.57	1	7	-1	107	317.387	2	↓ MOL2 SDF SMILES Flexibase

40550044

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-(4-hydroxypiperidine-1-carbonyl)amino]acetic 2-[[(3R)-1,1-dioxothiolan-3-yl]-…

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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)	-2.88	0.01	-52.01	1	8	-1	118	319.359	3	↓ MOL2 SDF SMILES Flexibase

40550045

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-(4-hydroxypiperidine-1-carbonyl)amino]acetic 2-[[(3S)-1,1-dioxothiolan-3-yl]-…

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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)	-2.88	-0.04	-48.15	1	8	-1	118	319.359	3	↓ MOL2 SDF SMILES Flexibase

48967648

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-[(3S)-3-hydroxypiperidine-1-carbonyl]amino]acetic 2-[[(3R)-1,1-dioxothiolan-3-yl]-…

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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)	-2.15	-0.02	-48.67	1	8	-1	118	319.359	3	↓ MOL2 SDF SMILES Flexibase

48967651

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-[(3R)-3-hydroxypiperidine-1-carbonyl]amino]acetic 2-[[(3R)-1,1-dioxothiolan-3-yl]-…

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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)	-2.15	-0.02	-45.24	1	8	-1	118	319.359	3	↓ MOL2 SDF SMILES Flexibase

48967654

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-[(3S)-3-hydroxypiperidine-1-carbonyl]amino]acetic 2-[[(3S)-1,1-dioxothiolan-3-yl]-…

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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)	-2.15	0.08	-55.68	1	8	-1	118	319.359	3	↓ MOL2 SDF SMILES Flexibase

48967657

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-[(3R)-3-hydroxypiperidine-1-carbonyl]amino]acetic 2-[[(3S)-1,1-dioxothiolan-3-yl]-…

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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)	-2.15	0.08	-51.8	1	8	-1	118	319.359	3	↓ MOL2 SDF SMILES Flexibase

49371621

Analogs

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Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-propoxy-piperidine-1-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)	1.32	2.27	-17.21	1	6	0	76	304.412	4	↓ MOL2 SDF SMILES Flexibase

49371623

Analogs

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Popular Name: (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-propoxy-piperidine-1-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)	1.32	2.27	-17.2	1	6	0	76	304.412	4	↓ MOL2 SDF SMILES Flexibase

49371624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-propoxy-piperidine-1-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)	1.32	2.28	-16.43	1	6	0	76	304.412	4	↓ MOL2 SDF SMILES Flexibase

49371626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-propoxy-piperidine-1-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)	1.32	2.29	-16.46	1	6	0	76	304.412	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 118096
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 = 118096 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', {
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