ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36132698

Analogs

37835812
53116665
53116692
53116814
53116938

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2R)-2-(hydroxymethyl)-1-piperidyl]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(2R)-2-(hydroxymethyl)-1-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.43	6.63	-57.47	1	5	-1	81	282.36	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.43	4.76	-11.04	2	5	0	78	283.368	4	↓ MOL2 SDF SMILES Flexibase

36132699

Analogs

37835812
53116665
53116692
53116814
53116938

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2S)-2-(hydroxymethyl)-1-piperidyl]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(2S)-2-(hydroxymethyl)-1-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.43	6.68	-56.45	1	5	-1	81	282.36	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.43	4.79	-10.86	2	5	0	78	283.368	4	↓ MOL2 SDF SMILES Flexibase

36132763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3S)-3-hydroxy-1-piperidyl]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(3S)-3-hydroxy-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)	0.93	5.29	-60.76	1	5	-1	81	268.333	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.93	3.28	-16.51	2	5	0	78	269.341	3	↓ MOL2 SDF SMILES Flexibase

36132765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3R)-3-hydroxy-1-piperidyl]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(3R)-3-hydroxy-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)	0.93	5.21	-61.39	1	5	-1	81	268.333	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.93	3.21	-15.96	2	5	0	78	269.341	3	↓ MOL2 SDF SMILES Flexibase

62842221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-cyclohexylacetyl)-4-methyl-piperidine-4-carboxylic 1-(2-cyclohexylacetyl)-4-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)	2.67	8.55	-49.26	0	4	-1	60	266.361	3	↓ MOL2 SDF SMILES Flexibase

62844710

Analogs

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Popular Name: 1-(2-cyclohexylacetyl)-4-ethyl-piperidine-4-carboxylic 1-(2-cyclohexylacetyl)-4-ethyl-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	8.99	-47.82	0	4	-1	60	280.388	4	↓ MOL2 SDF SMILES Flexibase

62845091

Analogs

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Popular Name: 1-(2-cyclohexylacetyl)-4-propyl-piperidine-4-carboxylic 1-(2-cyclohexylacetyl)-4-propyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	9.76	-48.2	0	4	-1	60	294.415	5	↓ MOL2 SDF SMILES Flexibase

62868526

Analogs

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Popular Name: (3S)-1-(2-cyclohexylacetyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(2-cyclohexylacetyl)-3-me…

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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)	2.67	8.99	-53.99	0	4	-1	60	266.361	3	↓ MOL2 SDF SMILES Flexibase

62868527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-cyclohexylacetyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(2-cyclohexylacetyl)-3-me…

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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)	2.67	8.96	-54.16	0	4	-1	60	266.361	3	↓ MOL2 SDF SMILES Flexibase

62869809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-cyclohexylacetyl)-3-ethyl-piperidine-3-carboxylic (3S)-1-(2-cyclohexylacetyl)-3-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	9.49	-53.34	0	4	-1	60	280.388	4	↓ MOL2 SDF SMILES Flexibase

62869810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-cyclohexylacetyl)-3-ethyl-piperidine-3-carboxylic (3R)-1-(2-cyclohexylacetyl)-3-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	9.42	-53.43	0	4	-1	60	280.388	4	↓ MOL2 SDF SMILES Flexibase

62870693

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(2-cyclohexylacetyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(2-cyclohexylacetyl)-3-pr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	10.24	-53.98	0	4	-1	60	294.415	5	↓ MOL2 SDF SMILES Flexibase

62870694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-cyclohexylacetyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(2-cyclohexylacetyl)-3-pr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	10.19	-54.07	0	4	-1	60	294.415	5	↓ MOL2 SDF SMILES Flexibase

62953999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-ethyl-4-methyl-1-piperidyl)-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-(4-ethyl-4-methyl-1-piperid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	9.99	-60.42	0	4	-1	60	294.415	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.06	8	-13.16	1	4	0	58	295.423	4	↓ MOL2 SDF SMILES Flexibase

62961052

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-(4-ethyl-4-methyl-1-piperidyl)ethanone 2-[(1S,2S)-2-aminocyclohexyl]-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)	2.48	6.18	-52.18	3	3	1	48	267.437	3	↓ MOL2 SDF SMILES Flexibase

62961053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-(4-ethyl-4-methyl-1-piperidyl)ethanone 2-[(1R,2S)-2-aminocyclohexyl]-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)	2.48	6.38	-53.43	3	3	1	48	267.437	3	↓ MOL2 SDF SMILES Flexibase

62961054

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2R)-2-aminocyclohexyl]-1-(4-ethyl-4-methyl-1-piperidyl)ethanone 2-[(1S,2R)-2-aminocyclohexyl]-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)	2.48	6.38	-53.46	3	3	1	48	267.437	3	↓ MOL2 SDF SMILES Flexibase

62961055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2R)-2-aminocyclohexyl]-1-(4-ethyl-4-methyl-1-piperidyl)ethanone 2-[(1R,2R)-2-aminocyclohexyl]-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)	2.48	6.54	-53.64	3	3	1	48	267.437	3	↓ MOL2 SDF SMILES Flexibase

62961056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminocyclohexyl)-1-(4-ethyl-4-methyl-1-piperidyl)ethanone 2-(4-aminocyclohexyl)-1-(4-ethyl…

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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)	2.19	6.35	-44.56	3	3	1	48	267.437	3	↓ MOL2 SDF SMILES Flexibase

62961073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-(4-ethyl-4-methyl-1-piperidyl)ethanone 2-[(1R,3S)-3-aminocyclohexyl]-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)	2.42	6.34	-49.75	3	3	1	48	267.437	3	↓ MOL2 SDF SMILES Flexibase

62961074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-(4-ethyl-4-methyl-1-piperidyl)ethanone 2-[(1S,3S)-3-aminocyclohexyl]-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)	2.42	6.52	-44.2	3	3	1	48	267.437	3	↓ MOL2 SDF SMILES Flexibase

62961075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3R)-3-aminocyclohexyl]-1-(4-ethyl-4-methyl-1-piperidyl)ethanone 2-[(1R,3R)-3-aminocyclohexyl]-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)	2.42	6.08	-53.76	3	3	1	48	267.437	3	↓ MOL2 SDF SMILES Flexibase

62961076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3R)-3-aminocyclohexyl]-1-(4-ethyl-4-methyl-1-piperidyl)ethanone 2-[(1S,3R)-3-aminocyclohexyl]-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)	2.42	6.34	-49.77	3	3	1	48	267.437	3	↓ MOL2 SDF SMILES Flexibase

62961094

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-(4,4-diethyl-1-piperidyl)ethanone 2-[(1S,2S)-2-aminocyclohexyl]-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)	2.81	6.66	-52.24	3	3	1	48	281.464	4	↓ MOL2 SDF SMILES Flexibase

62961095

Analogs

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Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-(4,4-diethyl-1-piperidyl)ethanone 2-[(1R,2S)-2-aminocyclohexyl]-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)	2.81	6.85	-53.73	3	3	1	48	281.464	4	↓ MOL2 SDF SMILES Flexibase

62961096

Analogs

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Popular Name: 2-[(1S,2R)-2-aminocyclohexyl]-1-(4,4-diethyl-1-piperidyl)ethanone 2-[(1S,2R)-2-aminocyclohexyl]-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)	2.81	6.85	-53.66	3	3	1	48	281.464	4	↓ MOL2 SDF SMILES Flexibase

62961097

Analogs

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Popular Name: 2-[(1R,2R)-2-aminocyclohexyl]-1-(4,4-diethyl-1-piperidyl)ethanone 2-[(1R,2R)-2-aminocyclohexyl]-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)	2.81	7.02	-53.97	3	3	1	48	281.464	4	↓ MOL2 SDF SMILES Flexibase

62961098

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-1-(4,4-diethyl-1-piperidyl)ethanone 2-(4-aminocyclohexyl)-1-(4,4-die…

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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)	2.52	6.83	-44.55	3	3	1	48	281.464	4	↓ MOL2 SDF SMILES Flexibase

62961115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-(4,4-diethyl-1-piperidyl)ethanone 2-[(1R,3S)-3-aminocyclohexyl]-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)	2.76	6.81	-49.87	3	3	1	48	281.464	4	↓ MOL2 SDF SMILES Flexibase

62961116

Analogs

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Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-(4,4-diethyl-1-piperidyl)ethanone 2-[(1S,3S)-3-aminocyclohexyl]-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)	2.76	6.99	-44.15	3	3	1	48	281.464	4	↓ MOL2 SDF SMILES Flexibase

62961117

Analogs

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Popular Name: 2-[(1R,3R)-3-aminocyclohexyl]-1-(4,4-diethyl-1-piperidyl)ethanone 2-[(1R,3R)-3-aminocyclohexyl]-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)	2.76	6.55	-53.98	3	3	1	48	281.464	4	↓ MOL2 SDF SMILES Flexibase

62961118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3R)-3-aminocyclohexyl]-1-(4,4-diethyl-1-piperidyl)ethanone 2-[(1S,3R)-3-aminocyclohexyl]-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)	2.76	6.81	-49.82	3	3	1	48	281.464	4	↓ MOL2 SDF SMILES Flexibase

66842403

Analogs

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Popular Name: N-methyl-N-[1-[2-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetyl]-4-piperidyl]ethanesulfonamide N-methyl-N-[1-[2-[(1R,5S)-3,3,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	7.81	-15.88	0	5	0	58	372.575	5	↓ MOL2 SDF SMILES Flexibase

66842404

Analogs

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Popular Name: N-methyl-N-[1-[2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetyl]-4-piperidyl]ethanesulfonamide N-methyl-N-[1-[2-[(1S,5S)-3,3,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	7.73	-12.62	0	5	0	58	372.575	5	↓ MOL2 SDF SMILES Flexibase

66844022

Analogs

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Popular Name: N-ethyl-N-[1-[2-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetyl]-4-piperidyl]methanesulfonamide N-ethyl-N-[1-[2-[(1R,5S)-3,3,5-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	7.61	-15.84	0	5	0	58	372.575	5	↓ MOL2 SDF SMILES Flexibase

66844023

Analogs

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Popular Name: N-ethyl-N-[1-[2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetyl]-4-piperidyl]methanesulfonamide N-ethyl-N-[1-[2-[(1S,5S)-3,3,5-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	7.53	-12.94	0	5	0	58	372.575	5	↓ MOL2 SDF SMILES Flexibase

55091342

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-1-[(3S)-3-(hydroxymethyl)-1-piperidyl]ethanone 2-[(1S,2S)-2-aminocyclohexyl]-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)	0.72	2.1	-53.77	4	4	1	68	255.382	3	↓ MOL2 SDF SMILES Flexibase

55091345

Analogs

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Popular Name: 2-[(1S,2R)-2-aminocyclohexyl]-1-[(3S)-3-(hydroxymethyl)-1-piperidyl]ethanone 2-[(1S,2R)-2-aminocyclohexyl]-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)	0.72	2.3	-55.08	4	4	1	68	255.382	3	↓ MOL2 SDF SMILES Flexibase

55091346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-1-[(3S)-3-(hydroxymethyl)-1-piperidyl]ethanone 2-[(1R,2S)-2-aminocyclohexyl]-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)	0.72	2.3	-55.89	4	4	1	68	255.382	3	↓ MOL2 SDF SMILES Flexibase

55091348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2R)-2-aminocyclohexyl]-1-[(3S)-3-(hydroxymethyl)-1-piperidyl]ethanone 2-[(1R,2R)-2-aminocyclohexyl]-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)	0.72	2.46	-55.58	4	4	1	68	255.382	3	↓ MOL2 SDF SMILES Flexibase

55091350

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-1-[(3S)-3-(hydroxymethyl)-1-piperidyl]ethanone 2-(4-aminocyclohexyl)-1-[(3S)-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)	0.44	2.45	-48.66	4	4	1	68	255.382	3	↓ MOL2 SDF SMILES Flexibase

55091352

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-1-[(3R)-3-(hydroxymethyl)-1-piperidyl]ethanone 2-(4-aminocyclohexyl)-1-[(3R)-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)	0.44	2.03	-52.17	4	4	1	68	255.382	3	↓ MOL2 SDF SMILES Flexibase

55091382

Analogs

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Popular Name: 2-[(1S,3R)-3-aminocyclohexyl]-1-[(3S)-3-(hydroxymethyl)-1-piperidyl]ethanone 2-[(1S,3R)-3-aminocyclohexyl]-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)	0.67	2.26	-52.13	4	4	1	68	255.382	3	↓ MOL2 SDF SMILES Flexibase

55091384

Analogs

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Popular Name: 2-[(1R,3R)-3-aminocyclohexyl]-1-[(3S)-3-(hydroxymethyl)-1-piperidyl]ethanone 2-[(1R,3R)-3-aminocyclohexyl]-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)	0.67	2.44	-46.11	4	4	1	68	255.382	3	↓ MOL2 SDF SMILES Flexibase

55091387

Analogs

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Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-1-[(3S)-3-(hydroxymethyl)-1-piperidyl]ethanone 2-[(1S,3S)-3-aminocyclohexyl]-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)	0.67	2	-55.75	4	4	1	68	255.382	3	↓ MOL2 SDF SMILES Flexibase

55091389

Analogs

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Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-1-[(3S)-3-(hydroxymethyl)-1-piperidyl]ethanone 2-[(1R,3S)-3-aminocyclohexyl]-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)	0.67	2.26	-51.88	4	4	1	68	255.382	3	↓ MOL2 SDF SMILES Flexibase

55091417

Analogs

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Popular Name: 1-[2-[(1S,2S)-2-aminocyclohexyl]acetyl]piperidine-4-carboxamide 1-[2-[(1S,2S)-2-aminocyclohexyl]…

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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)	0.08	1.46	-55.36	5	5	1	91	268.381	3	↓ MOL2 SDF SMILES Flexibase

55091419

Analogs

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Popular Name: 1-[2-[(1S,2R)-2-aminocyclohexyl]acetyl]piperidine-4-carboxamide 1-[2-[(1S,2R)-2-aminocyclohexyl]…

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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)	0.08	1.67	-58.78	5	5	1	91	268.381	3	↓ MOL2 SDF SMILES Flexibase

55091421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R,2S)-2-aminocyclohexyl]acetyl]piperidine-4-carboxamide 1-[2-[(1R,2S)-2-aminocyclohexyl]…

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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)	0.08	1.67	-56.65	5	5	1	91	268.381	3	↓ MOL2 SDF SMILES Flexibase

55091422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(1R,2R)-2-aminocyclohexyl]acetyl]piperidine-4-carboxamide 1-[2-[(1R,2R)-2-aminocyclohexyl]…

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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)	0.08	1.84	-58.45	5	5	1	91	268.381	3	↓ 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

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