ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36753489

Analogs

44512701

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-piperidyl)-(5-methylisoxazol-4-yl)methanone (4-amino-1-piperidyl)-(5-methyli…

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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)	-1.20	1.54	-54.57	3	5	1	74	210.257	1	↓ MOL2 SDF SMILES Flexibase

36753535

Analogs

43937481
47829333
47829636
48806824
165776

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-piperidyl)-(3,5-dimethylisoxazol-4-yl)methanone (4-amino-1-piperidyl)-(3,5-dimet…

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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)	-0.97	2.38	-56.96	3	5	1	74	224.284	1	↓ MOL2 SDF SMILES Flexibase

62525447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-tert-butyl-5-methyl-isoxazole-4-carbonyl)piperidine-4-carbonitrile 1-(3-tert-butyl-5-methyl-isoxazo…

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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	7.38	-13.7	0	5	0	70	275.352	2	↓ MOL2 SDF SMILES Flexibase

36966288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)piperidine-3-carboxylic (3S)-1-(3-ethyl-5-methyl-isoxazo…

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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	6.39	-49.77	0	6	-1	86	265.289	3	↓ MOL2 SDF SMILES Flexibase

36966289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)piperidine-3-carboxylic (3R)-1-(3-ethyl-5-methyl-isoxazo…

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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	6.35	-49.13	0	6	-1	86	265.289	3	↓ MOL2 SDF SMILES Flexibase

36966415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)piperidine-2-carboxylic (2R)-1-(3-ethyl-5-methyl-isoxazo…

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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)	-0.98	7.61	-60.08	0	6	-1	86	265.289	3	↓ MOL2 SDF SMILES Flexibase

36966416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)piperidine-2-carboxylic (2S)-1-(3-ethyl-5-methyl-isoxazo…

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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)	-0.98	7.57	-60.09	0	6	-1	86	265.289	3	↓ MOL2 SDF SMILES Flexibase

36974673

Analogs

40465289
40465291
48735874
48735876
50763950

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5-isopropyl-3-methyl-isoxazole-4-carbonyl)piperidine-3-carboxylic (3S)-1-(5-isopropyl-3-methyl-iso…

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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)	0.84	7.03	-49.35	0	6	-1	86	279.316	3	↓ MOL2 SDF SMILES Flexibase

36974675

Analogs

40465289
40465291
48735874
48735876
50763950

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5-isopropyl-3-methyl-isoxazole-4-carbonyl)piperidine-3-carboxylic (3R)-1-(5-isopropyl-3-methyl-iso…

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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)	0.84	7	-48.91	0	6	-1	86	279.316	3	↓ MOL2 SDF SMILES Flexibase

62842066

Analogs

12480930

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(5-methylisoxazole-4-carbonyl)piperidine-4-carboxylic 4-methyl-1-(5-methylisoxazole-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.20	5.13	-49.56	0	6	-1	86	251.262	2	↓ MOL2 SDF SMILES Flexibase

62842193

Analogs

13167341

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylisoxazole-4-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(3,5-dimethylisoxazole-4-carbo…

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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	5.88	-48.86	0	6	-1	86	265.289	2	↓ MOL2 SDF SMILES Flexibase

62842391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-isopropyl-3-methyl-isoxazole-4-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(5-isopropyl-3-methyl-isoxazol…

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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)	1.08	7.31	-47.1	0	6	-1	86	293.343	3	↓ MOL2 SDF SMILES Flexibase

62842469

Analogs

13167519

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)-4-methyl-piperidine-4-carboxylic 1-(3-ethyl-5-methyl-isoxazole-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.60	6.67	-47.31	0	6	-1	86	279.316	3	↓ MOL2 SDF SMILES Flexibase

62844585

Analogs

12480930

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(5-methylisoxazole-4-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(5-methylisoxazole-4-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)	0.14	5.58	-49.07	0	6	-1	86	265.289	3	↓ MOL2 SDF SMILES Flexibase

62844682

Analogs

13167341

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylisoxazole-4-carbonyl)-4-ethyl-piperidine-4-carboxylic 1-(3,5-dimethylisoxazole-4-carbo…

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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	6.37	-47.98	0	6	-1	86	279.316	3	↓ MOL2 SDF SMILES Flexibase

62844791

Analogs

13167519

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(3-ethyl-5-methyl-isox…

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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)	0.93	7.25	-48.31	0	6	-1	86	293.343	4	↓ MOL2 SDF SMILES Flexibase

62844933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methylisoxazole-4-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(5-methylisoxazole-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)	0.70	6.36	-49.46	0	6	-1	86	279.316	4	↓ MOL2 SDF SMILES Flexibase

62845063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylisoxazole-4-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(3,5-dimethylisoxazole-4-carbo…

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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)	0.92	7.19	-47.11	0	6	-1	86	293.343	4	↓ MOL2 SDF SMILES Flexibase

62868230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(5-methylisoxazole-4-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(5-methylisoxazo…

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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)	-0.20	5.55	-43.96	0	6	-1	86	251.262	2	↓ MOL2 SDF SMILES Flexibase

62868231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(5-methylisoxazole-4-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(5-methylisoxazo…

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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)	-0.20	5.58	-49.98	0	6	-1	86	251.262	2	↓ MOL2 SDF SMILES Flexibase

62868474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3,5-dimethylisoxazole-4-carbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(3,5-dimethylisoxazole-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.02	6.31	-50.16	0	6	-1	86	265.289	2	↓ MOL2 SDF SMILES Flexibase

62868475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3,5-dimethylisoxazole-4-carbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(3,5-dimethylisoxazole-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.02	6.33	-49.86	0	6	-1	86	265.289	2	↓ MOL2 SDF SMILES Flexibase

62868746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5-isopropyl-3-methyl-isoxazole-4-carbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(5-isopropyl-3-methyl-iso…

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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)	1.08	7.71	-49.66	0	6	-1	86	293.343	3	↓ MOL2 SDF SMILES Flexibase

62868747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5-isopropyl-3-methyl-isoxazole-4-carbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(5-isopropyl-3-methyl-iso…

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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)	1.08	7.71	-49.4	0	6	-1	86	293.343	3	↓ MOL2 SDF SMILES Flexibase

62868962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(3-ethyl-5-methyl-isoxazo…

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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)	0.60	7.02	-50.11	0	6	-1	86	279.316	3	↓ MOL2 SDF SMILES Flexibase

62868963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(3-ethyl-5-methyl-isoxazo…

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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)	0.60	7.08	-49.74	0	6	-1	86	279.316	3	↓ MOL2 SDF SMILES Flexibase

62869571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(5-methylisoxazole-4-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(5-methylisoxazol…

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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)	0.14	6.02	-48.61	0	6	-1	86	265.289	3	↓ MOL2 SDF SMILES Flexibase

62869572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(5-methylisoxazole-4-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(5-methylisoxazol…

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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)	0.14	6.05	-48.45	0	6	-1	86	265.289	3	↓ MOL2 SDF SMILES Flexibase

62869757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3,5-dimethylisoxazole-4-carbonyl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(3,5-dimethylisoxazole-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.36	6.84	-48.62	0	6	-1	86	279.316	3	↓ MOL2 SDF SMILES Flexibase

62869758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3,5-dimethylisoxazole-4-carbonyl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(3,5-dimethylisoxazole-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.36	6.83	-48.45	0	6	-1	86	279.316	3	↓ MOL2 SDF SMILES Flexibase

62869971

Analogs

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Popular Name: (3R)-3-ethyl-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(3-ethyl-5-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)	0.93	7.54	-49.51	0	6	-1	86	293.343	4	↓ MOL2 SDF SMILES Flexibase

62869972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(3-ethyl-5-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)	0.93	7.65	-50.92	0	6	-1	86	293.343	4	↓ MOL2 SDF SMILES Flexibase

62870261

Analogs

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Popular Name: (3S)-1-(5-methylisoxazole-4-carbonyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(5-methylisoxazole-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)	0.70	6.81	-49.25	0	6	-1	86	279.316	4	↓ MOL2 SDF SMILES Flexibase

62870262

Analogs

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Popular Name: (3R)-1-(5-methylisoxazole-4-carbonyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(5-methylisoxazole-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)	0.70	6.81	-48.95	0	6	-1	86	279.316	4	↓ MOL2 SDF SMILES Flexibase

62870603

Analogs

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Popular Name: (3S)-1-(3,5-dimethylisoxazole-4-carbonyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(3,5-dimethylisoxazole-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	7.61	-49.27	0	6	-1	86	293.343	4	↓ MOL2 SDF SMILES Flexibase

62870604

Analogs

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Popular Name: (3R)-1-(3,5-dimethylisoxazole-4-carbonyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(3,5-dimethylisoxazole-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	7.57	-48.95	0	6	-1	86	293.343	4	↓ MOL2 SDF SMILES Flexibase

69508111

Analogs

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Popular Name: N-[[(3R)-1-(5-isopropyl-3-methyl-isoxazole-4-carbonyl)-3-piperidyl]methyl]-2-methyl-propanamide N-[[(3R)-1-(5-isopropyl-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)	1.82	6.98	-12.31	1	6	0	75	335.448	5	↓ MOL2 SDF SMILES Flexibase

69508113

Analogs

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Popular Name: N-[[(3S)-1-(5-isopropyl-3-methyl-isoxazole-4-carbonyl)-3-piperidyl]methyl]-2-methyl-propanamide N-[[(3S)-1-(5-isopropyl-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)	1.82	7.01	-12.39	1	6	0	75	335.448	5	↓ MOL2 SDF SMILES Flexibase

69700610

Analogs

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Popular Name: N-[[(2R)-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)-2-piperidyl]methyl]methanesulfonamide N-[[(2R)-1-(3-ethyl-5-methyl-iso…

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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)	0.39	3.95	-16.97	1	7	0	93	329.422	5	↓ MOL2 SDF SMILES Flexibase

69700612

Analogs

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Popular Name: N-[[(2S)-1-(3-ethyl-5-methyl-isoxazole-4-carbonyl)-2-piperidyl]methyl]methanesulfonamide N-[[(2S)-1-(3-ethyl-5-methyl-iso…

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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)	0.39	3.07	-13.05	1	7	0	93	329.422	5	↓ MOL2 SDF SMILES Flexibase

69708105

Analogs

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Popular Name: N-[[(2R)-1-(3,5-dimethylisoxazole-4-carbonyl)-2-piperidyl]methyl]methanesulfonamide N-[[(2R)-1-(3,5-dimethylisoxazol…

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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)	-0.18	3.22	-17.4	1	7	0	93	315.395	4	↓ MOL2 SDF SMILES Flexibase

69708108

Analogs

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Popular Name: N-[[(2S)-1-(3,5-dimethylisoxazole-4-carbonyl)-2-piperidyl]methyl]methanesulfonamide N-[[(2S)-1-(3,5-dimethylisoxazol…

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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)	-0.18	2.36	-13.23	1	7	0	93	315.395	4	↓ MOL2 SDF SMILES Flexibase

69718823

Analogs

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Popular Name: [(3S,4S)-3-amino-4-methyl-1-piperidyl]-(5-methylisoxazol-4-yl)methanone [(3S,4S)-3-amino-4-methyl-1-pipe…

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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	1.96	-50.12	3	5	1	74	224.284	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.72	2.34	-7.34	2	5	0	72	223.276	1	↓ MOL2 SDF SMILES Flexibase

69718824

Analogs

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Popular Name: [(3S,4R)-3-amino-4-methyl-1-piperidyl]-(5-methylisoxazol-4-yl)methanone [(3S,4R)-3-amino-4-methyl-1-pipe…

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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	2.19	-50.34	3	5	1	74	224.284	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.72	1.91	-8.34	2	5	0	72	223.276	1	↓ MOL2 SDF SMILES Flexibase

69718826

Analogs

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Popular Name: [(3R,4S)-3-amino-4-methyl-1-piperidyl]-(5-methylisoxazol-4-yl)methanone [(3R,4S)-3-amino-4-methyl-1-pipe…

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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	2.21	-55.03	3	5	1	74	224.284	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.72	1.9	-7.2	2	5	0	72	223.276	1	↓ MOL2 SDF SMILES Flexibase

69718828

Analogs

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Popular Name: [(3R,4R)-3-amino-4-methyl-1-piperidyl]-(5-methylisoxazol-4-yl)methanone [(3R,4R)-3-amino-4-methyl-1-pipe…

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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	1.99	-54.75	3	5	1	74	224.284	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.72	2.09	-7.92	2	5	0	72	223.276	1	↓ MOL2 SDF SMILES Flexibase

70187622

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(5-methylisoxazol-4-yl)methanone [4-(2-aminoethyl)-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)	-0.43	2.94	-53.6	3	5	1	74	238.311	3	↓ MOL2 SDF SMILES Flexibase

70187910

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(3,5-dimethylisoxazol-4-yl)methanone [4-(2-aminoethyl)-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)	-0.21	3.72	-54.12	3	5	1	74	252.338	3	↓ MOL2 SDF SMILES Flexibase

70189182

Analogs

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Popular Name: [4-[2-(methylamino)ethyl]-1-piperidyl]-(5-methylisoxazol-4-yl)methanone [4-[2-(methylamino)ethyl]-1-pipe…

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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)	0.55	4.81	-48.93	2	5	1	63	252.338	4	↓ MOL2 SDF SMILES Flexibase

70189442

Analogs

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Popular Name: (3,5-dimethylisoxazol-4-yl)-[4-[2-(methylamino)ethyl]-1-piperidyl]methanone (3,5-dimethylisoxazol-4-yl)-[4-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.77	5.6	-49.49	2	5	1	63	266.365	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 37084 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>
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