ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

50906936

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(4-propylpiperidine-1-carbonyl)morpholine-2-carboxylic (2S)-4-(4-propylpiperidine-1-car…

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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)	1.71	6.94	-53.81	0	6	-1	73	283.348	3	↓ MOL2 SDF SMILES Flexibase

50906938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(4-propylpiperidine-1-carbonyl)morpholine-2-carboxylic (2R)-4-(4-propylpiperidine-1-car…

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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)	1.71	7	-53.98	0	6	-1	73	283.348	3	↓ MOL2 SDF SMILES Flexibase

62842685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic 4-methyl-1-(morpholine-4-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)	0.35	4.39	-51.93	0	6	-1	73	255.294	1	↓ MOL2 SDF SMILES Flexibase

62842704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S,6R)-2,6-dimethylmorpholin…

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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	5.89	-51.68	0	6	-1	73	283.348	1	↓ MOL2 SDF SMILES Flexibase

62842705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S,6S)-2,6-dimethylmorpholin…

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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	6.06	-51.54	0	6	-1	73	283.348	1	↓ MOL2 SDF SMILES Flexibase

62842706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R,6R)-2,6-dimethylmorpholin…

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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	6.03	-50.59	0	6	-1	73	283.348	1	↓ MOL2 SDF SMILES Flexibase

62842711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(2R)-2-methylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(2R)-2-methylmorphol…

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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)	0.71	5.13	-52.22	0	6	-1	73	269.321	1	↓ MOL2 SDF SMILES Flexibase

62842712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(2S)-2-methylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(2S)-2-methylmorphol…

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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)	0.71	5.08	-51.32	0	6	-1	73	269.321	1	↓ MOL2 SDF SMILES Flexibase

62843181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(3R)-3-methylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(3R)-3-methylmorphol…

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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)	0.68	4.96	-46.9	0	6	-1	73	269.321	1	↓ MOL2 SDF SMILES Flexibase

62843182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(3S)-3-methylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(3S)-3-methylmorphol…

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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)	0.68	4.87	-46.85	0	6	-1	73	269.321	1	↓ MOL2 SDF SMILES Flexibase

62843187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R,5R)-2,5-dimethylmorpholin…

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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)	1.04	5.84	-50.95	0	6	-1	73	283.348	1	↓ MOL2 SDF SMILES Flexibase

62843188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S,5R)-2,5-dimethylmorpholin…

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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)	1.04	5.7	-50.85	0	6	-1	73	283.348	1	↓ MOL2 SDF SMILES Flexibase

62843189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R,5S)-2,5-dimethylmorpholin…

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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)	1.04	5.68	-50.45	0	6	-1	73	283.348	1	↓ MOL2 SDF SMILES Flexibase

62843190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,5S)-2,5-dimethylmorpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S,5S)-2,5-dimethylmorpholin…

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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)	1.04	5.91	-52.07	0	6	-1	73	283.348	1	↓ MOL2 SDF SMILES Flexibase

62843212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-ethylmorpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R)-2-ethylmorpholine-4-carb…

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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)	1.21	5.91	-51.58	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62843213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-ethylmorpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S)-2-ethylmorpholine-4-carb…

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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)	1.21	5.92	-51.12	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62843273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,2-dimethylmorpholine-4-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(2,2-dimethylmorpholine-4-carb…

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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)	1.16	5.92	-50.98	0	6	-1	73	283.348	1	↓ MOL2 SDF SMILES Flexibase

62843285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-ethylmorpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3R)-3-ethylmorpholine-4-carb…

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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)	1.21	5.5	-51	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62843286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-ethylmorpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(3S)-3-ethylmorpholine-4-carb…

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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)	1.21	5.63	-51.61	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62843446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5R)-5-ethyl-2-methyl-morpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R,5R)-5-ethyl-2-methyl-morp…

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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)	1.57	6.78	-51.1	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62843447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5S)-5-ethyl-2-methyl-morpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2R,5S)-5-ethyl-2-methyl-morp…

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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)	1.57	6.38	-51.13	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62843448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,5R)-5-ethyl-2-methyl-morpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S,5R)-5-ethyl-2-methyl-morp…

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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)	1.57	6.25	-50.43	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62843449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,5S)-5-ethyl-2-methyl-morpholine-4-carbonyl]-4-methyl-piperidine-4-carboxylic 1-[(2S,5S)-5-ethyl-2-methyl-morp…

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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)	1.57	6.84	-52.19	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62843457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,3-dimethylmorpholine-4-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(3,3-dimethylmorpholine-4-carb…

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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)	1.16	5.57	-50.89	0	6	-1	73	283.348	1	↓ MOL2 SDF SMILES Flexibase

62843877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(6R)-2,2,6-trimethylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(6R)-2,2,6-trimethyl…

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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)	1.52	6.65	-50.53	0	6	-1	73	297.375	1	↓ MOL2 SDF SMILES Flexibase

62843878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-methyl-1-[(6S)-2,2,6-trimethyl…

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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)	1.52	6.68	-51.45	0	6	-1	73	297.375	1	↓ MOL2 SDF SMILES Flexibase

62846118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(morpholine-4-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(morpholine-4-carbonyl)-4-prop…

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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)	1.24	5.64	-52.42	0	6	-1	73	283.348	3	↓ MOL2 SDF SMILES Flexibase

62846119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(morpholine-4-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)	0.68	4.86	-51.92	0	6	-1	73	269.321	2	↓ MOL2 SDF SMILES Flexibase

62846174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(2S,6R)-2,6-dimethylmorpholin…

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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)	1.41	6.32	-50.19	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62846175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(2R,6R)-2,6-dimethylmorpholin…

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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)	1.41	6.5	-50.03	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62846176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(2S,6S)-2,6-dimethylmorpholin…

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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)	1.41	6.52	-50	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62846187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-methylmorpholine-4-carbonyl]-4-propyl-piperidine-4-carboxylic 1-[(2R)-2-methylmorpholine-4-car…

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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)	1.60	6.39	-51.91	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62846188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-methylmorpholine-4-carbonyl]-4-propyl-piperidine-4-carboxylic 1-[(2S)-2-methylmorpholine-4-car…

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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)	1.60	6.38	-51.2	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62846189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(2R)-2-methylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(2R)-2-methylmorpholi…

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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)	1.04	5.62	-51.46	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62846190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(2S)-2-methylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(2S)-2-methylmorpholi…

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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)	1.04	5.67	-51.7	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62846756

Analogs

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Popular Name: 1-[(3S)-3-methylmorpholine-4-carbonyl]-4-propyl-piperidine-4-carboxylic 1-[(3S)-3-methylmorpholine-4-car…

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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)	1.57	6.17	-46.52	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62846757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-methylmorpholine-4-carbonyl]-4-propyl-piperidine-4-carboxylic 1-[(3R)-3-methylmorpholine-4-car…

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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)	1.57	6.11	-46.91	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62846758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(3S)-3-methylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(3S)-3-methylmorpholi…

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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)	1.01	5.48	-50.41	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62846759

Analogs

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Popular Name: 4-ethyl-1-[(3R)-3-methylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(3R)-3-methylmorpholi…

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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)	1.01	5.43	-50.45	0	6	-1	73	283.348	2	↓ MOL2 SDF SMILES Flexibase

62846762

Analogs

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Popular Name: 1-[(2S,5S)-2,5-dimethylmorpholine-4-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(2S,5S)-2,5-dimethylmorpholin…

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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)	1.37	6.37	-50.66	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62846763

Analogs

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Popular Name: 1-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(2R,5S)-2,5-dimethylmorpholin…

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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)	1.37	6.16	-45.91	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62846764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(2S,5R)-2,5-dimethylmorpholin…

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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)	1.37	6.18	-49.98	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62846765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-4-ethyl-piperidine-4-carboxylic 1-[(2R,5R)-2,5-dimethylmorpholin…

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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)	1.37	6.38	-50.63	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62846788

Analogs

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Popular Name: 4-ethyl-1-[(2R)-2-ethylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(2R)-2-ethylmorpholin…

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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)	1.55	6.45	-52.7	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62846789

Analogs

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Popular Name: 4-ethyl-1-[(2S)-2-ethylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(2S)-2-ethylmorpholin…

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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)	1.55	6.43	-52.11	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62846835

Analogs

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Popular Name: 1-(2,2-dimethylmorpholine-4-carbonyl)-4-ethyl-piperidine-4-carboxylic 1-(2,2-dimethylmorpholine-4-carb…

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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)	1.49	6.46	-51.35	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62846839

Analogs

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Popular Name: 4-ethyl-1-[(3R)-3-ethylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(3R)-3-ethylmorpholin…

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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)	1.55	5.74	-47.83	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62846840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-[(3S)-3-ethylmorpholine-4-carbonyl]piperidine-4-carboxylic 4-ethyl-1-[(3S)-3-ethylmorpholin…

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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)	1.55	6.14	-52.75	0	6	-1	73	297.375	3	↓ MOL2 SDF SMILES Flexibase

62847064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,3-dimethylmorpholine-4-carbonyl)-4-ethyl-piperidine-4-carboxylic 1-(3,3-dimethylmorpholine-4-carb…

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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)	1.49	6.1	-46.23	0	6	-1	73	297.375	2	↓ MOL2 SDF SMILES Flexibase

62871751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(morpholine-4-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(morpholine-4-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)	0.35	4.8	-53.77	0	6	-1	73	255.294	1	↓ 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 = 16971 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

<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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