ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36137499

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.85	10.42	-60.54	0	4	-1	60	294.415	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.85	8.29	-12.77	1	4	0	58	295.423	4	↓ MOL2 SDF SMILES Flexibase

36535073

Analogs

36535074
36535075
36535076

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N,3-dimethyl-but-2-enamide N-[(1S)-1-cyclohexyl-2-(cyclohex…

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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)	4.63	10.54	-8.6	1	4	0	49	334.504	5	↓ MOL2 SDF SMILES Flexibase

36535074

Analogs

36535075
36535076
36535073

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N,3-dimethyl-but-2-enamide N-[(1R)-1-cyclohexyl-2-(cyclohex…

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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)	4.63	10.51	-7.45	1	4	0	49	334.504	5	↓ MOL2 SDF SMILES Flexibase

36535383

Analogs

36508563
36508564
36508567
36508568
36508569

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-butanamide N-[(1S)-1-cyclohexyl-2-(cyclohex…

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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)	4.39	10	-8.68	1	4	0	49	322.493	6	↓ MOL2 SDF SMILES Flexibase

36535384

Analogs

36508563
36508564
36508567
36508568
36508569

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-butanamide N-[(1R)-1-cyclohexyl-2-(cyclohex…

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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)	4.39	10.22	-8.14	1	4	0	49	322.493	6	↓ MOL2 SDF SMILES Flexibase

36535693

Analogs

36535694
36535695
36535696
34974799
34974797

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2-chloroacetyl)-methyl-amino]-N,2-dicyclohexyl-acetamide (2S)-2-[(2-chloroacetyl)-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)	3.56	10.33	-17.29	1	4	0	49	328.884	5	↓ MOL2 SDF SMILES Flexibase

36535694

Analogs

36535695
36535696
36535693
34974799
34974797

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2-chloroacetyl)-methyl-amino]-N,2-dicyclohexyl-acetamide (2R)-2-[(2-chloroacetyl)-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)	3.56	10.33	-16.92	1	4	0	49	328.884	5	↓ MOL2 SDF SMILES Flexibase

36536261

Analogs

36536262
36536263
36536264

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N,2-dicyclohexyl-2-[(2-hydroxyacetyl)-methyl-amino]acetamide (2S)-N,2-dicyclohexyl-2-[(2-hydr…

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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)	2.32	6.34	-12.8	2	5	0	70	310.438	5	↓ MOL2 SDF SMILES Flexibase

36536262

Analogs

36536263
36536264
36536261

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,2-dicyclohexyl-2-[(2-hydroxyacetyl)-methyl-amino]acetamide (2R)-N,2-dicyclohexyl-2-[(2-hydr…

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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)	2.32	6.45	-12.63	2	5	0	70	310.438	5	↓ MOL2 SDF SMILES Flexibase

36536573

Analogs

36508563
36508564
36508567
36508568
36508569

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-hexanamide N-[(1S)-1-cyclohexyl-2-(cyclohex…

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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)	5.40	11.56	-8.55	1	4	0	49	350.547	8	↓ MOL2 SDF SMILES Flexibase

36536574

Analogs

36508563
36508564
36508567
36508568
36508569

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-hexanamide N-[(1R)-1-cyclohexyl-2-(cyclohex…

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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)	5.40	11.78	-8.06	1	4	0	49	350.547	8	↓ MOL2 SDF SMILES Flexibase

36537770

Analogs

36520171
36520173
36520179
36520181
36520183

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N,2-dimethyl-prop-2-enamide N-[(1S)-1-cyclohexyl-2-(cyclohex…

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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)	4.14	9.64	-9.56	1	4	0	49	320.477	5	↓ MOL2 SDF SMILES Flexibase

36537771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N,2-dimethyl-prop-2-enamide N-[(1R)-1-cyclohexyl-2-(cyclohex…

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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)	4.14	9.61	-8.55	1	4	0	49	320.477	5	↓ MOL2 SDF SMILES Flexibase

36538082

Analogs

36538083
36538084
36538085

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N,2-dicyclohexyl-2-[(2-methoxyacetyl)-methyl-amino]acetamide (2S)-N,2-dicyclohexyl-2-[(2-meth…

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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)	2.94	8.73	-10.94	1	5	0	59	324.465	6	↓ MOL2 SDF SMILES Flexibase

36538083

Analogs

36538084
36538085
36538082

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,2-dicyclohexyl-2-[(2-methoxyacetyl)-methyl-amino]acetamide (2R)-N,2-dicyclohexyl-2-[(2-meth…

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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)	2.94	8.74	-11.18	1	5	0	59	324.465	6	↓ MOL2 SDF SMILES Flexibase

36539901

Analogs

36508563
36508564
36508567
36508568
36508569

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-propanamide N-[(1S)-1-cyclohexyl-2-(cyclohex…

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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)	3.83	8.1	-13.13	1	4	0	49	308.466	5	↓ MOL2 SDF SMILES Flexibase

36539902

Analogs

36508563
36508564
36508567
36508568
36508569

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-propanamide N-[(1R)-1-cyclohexyl-2-(cyclohex…

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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)	3.83	10.47	-15.71	1	4	0	49	308.466	5	↓ MOL2 SDF SMILES Flexibase

36540211

Analogs

36508563
36508564
36508567
36508568
36508569

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-pentanamide N-[(1S)-1-cyclohexyl-2-(cyclohex…

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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)	4.89	10.78	-8.61	1	4	0	49	336.52	7	↓ MOL2 SDF SMILES Flexibase

36540212

Analogs

36508563
36508564
36508567
36508568
36508569

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexyl-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-pentanamide N-[(1R)-1-cyclohexyl-2-(cyclohex…

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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)	4.89	11	-8.18	1	4	0	49	336.52	7	↓ MOL2 SDF SMILES Flexibase

36880345

Analogs

45204419
45204420
45204421
45204422
451493

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminocyclohexyl)-2-cyclohexyl-acetamide N-(4-aminocyclohexyl)-2-cyclohex…

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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)	1.96	4.5	-47.74	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

36880477

Analogs

45204419
45204420
45204421
45204422
451493

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[4-(methylamino)cyclohexyl]acetamide 2-cyclohexyl-N-[4-(methylamino)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)	2.86	6.61	-46.72	3	3	1	46	253.41	4	↓ MOL2 SDF SMILES Flexibase

36880594

Analogs

45204419
45204420
45204421
45204422
451493

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[4-(ethylamino)cyclohexyl]acetamide 2-cyclohexyl-N-[4-(ethylamino)cy…

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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	7.04	-41.57	3	3	1	46	267.437	5	↓ MOL2 SDF SMILES Flexibase

36880682

Analogs

37865332
37865333
37865334
37865335
45204419

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[4-(propylamino)cyclohexyl]acetamide 2-cyclohexyl-N-[4-(propylamino)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)	3.74	7.8	-42.39	3	3	1	46	281.464	6	↓ MOL2 SDF SMILES Flexibase

69560714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-cyclohexylacetyl)amino]-N-methoxy-cyclohexanecarboxamide 4-[(2-cyclohexylacetyl)amino]-N-…

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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)	2.53	6.4	-18.81	2	5	0	67	296.411	5	↓ MOL2 SDF SMILES Flexibase

55091710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-N-cyclohexyl-acetamide 2-[(1S,2S)-2-aminocyclohexyl]-N-…

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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)	2.24	4.33	-50.74	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55091712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2S)-2-aminocyclohexyl]-N-cyclohexyl-acetamide 2-[(1R,2S)-2-aminocyclohexyl]-N-…

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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)	2.24	4.53	-51.93	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55091714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2R)-2-aminocyclohexyl]-N-cyclohexyl-acetamide 2-[(1S,2R)-2-aminocyclohexyl]-N-…

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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)	2.24	4.53	-51.85	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55091716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,2R)-2-aminocyclohexyl]-N-cyclohexyl-acetamide 2-[(1R,2R)-2-aminocyclohexyl]-N-…

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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)	2.24	4.71	-51.99	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55091718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminocyclohexyl)-N-cyclohexyl-acetamide 2-(4-aminocyclohexyl)-N-cyclohex…

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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)	1.96	4.5	-44.3	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55091750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-N-cyclohexyl-acetamide 2-[(1R,3S)-3-aminocyclohexyl]-N-…

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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	4.49	-49	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55091752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-aminocyclohexyl]-N-cyclohexyl-acetamide 2-[(1S,3S)-3-aminocyclohexyl]-N-…

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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	4.67	-43.65	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55091755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3R)-3-aminocyclohexyl]-N-cyclohexyl-acetamide 2-[(1R,3R)-3-aminocyclohexyl]-N-…

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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	4.24	-52.35	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

55091757

Analogs

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Popular Name: 2-[(1S,3R)-3-aminocyclohexyl]-N-cyclohexyl-acetamide 2-[(1S,3R)-3-aminocyclohexyl]-N-…

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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	4.49	-48.99	4	3	1	57	239.383	3	↓ MOL2 SDF SMILES Flexibase

69703584

Analogs

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Popular Name: 4-[(2-cyclohexylacetyl)amino]-N-methoxy-N-methyl-cyclohexanecarboxamide 4-[(2-cyclohexylacetyl)amino]-N-…

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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)	2.77	7.22	-13	1	5	0	59	310.438	5	↓ MOL2 SDF SMILES Flexibase

55475427

Analogs

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Popular Name: N,2-dicyclohexyl-N-(2-hydroxyethyl)acetamide N,2-dicyclohexyl-N-(2-hydroxyeth…

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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)	3.68	6.79	-7.37	1	3	0	41	267.413	5	↓ MOL2 SDF SMILES Flexibase

70112389

Analogs

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Popular Name: 1-[2-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[[(1S,2R,4R)-2,4-dimethylcy…

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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)	3.08	9.92	-58.98	1	4	-1	69	294.415	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.08	7.77	-12.11	2	4	0	66	295.423	4	↓ MOL2 SDF SMILES Flexibase

70112390

Analogs

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Popular Name: 1-[2-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[[(1S,2R,4S)-2,4-dimethylcy…

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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)	3.08	9.14	-60.11	1	4	-1	69	294.415	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.08	6.98	-12.63	2	4	0	66	295.423	4	↓ MOL2 SDF SMILES Flexibase

70112391

Analogs

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Popular Name: 1-[2-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[[(1R,2R,4R)-2,4-dimethylcy…

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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)	3.08	9.53	-60.33	1	4	-1	69	294.415	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.08	7.39	-12.72	2	4	0	66	295.423	4	↓ MOL2 SDF SMILES Flexibase

70112392

Analogs

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Popular Name: 1-[2-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[[(1R,2R,4S)-2,4-dimethylcy…

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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)	3.08	9.3	-60.46	1	4	-1	69	294.415	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.08	7.15	-12.76	2	4	0	66	295.423	4	↓ MOL2 SDF SMILES Flexibase

70117227

Analogs

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Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-[(1R,3S)-3-aminocyclohexyl]-N-…

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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)	2.44	6.35	-48.56	4	3	1	57	267.437	3	↓ MOL2 SDF SMILES Flexibase

70117228

Analogs

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Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]acetamide 2-[(1R,3S)-3-aminocyclohexyl]-N-…

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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)	2.44	5.56	-48.86	4	3	1	57	267.437	3	↓ MOL2 SDF SMILES Flexibase

70117229

Analogs

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Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-[(1R,3S)-3-aminocyclohexyl]-N-…

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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)	2.44	5.96	-48.88	4	3	1	57	267.437	3	↓ MOL2 SDF SMILES Flexibase

70117230

Analogs

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Popular Name: 2-[(1R,3S)-3-aminocyclohexyl]-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]acetamide 2-[(1R,3S)-3-aminocyclohexyl]-N-…

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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)	2.44	5.73	-48.93	4	3	1	57	267.437	3	↓ MOL2 SDF SMILES Flexibase

70117247

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-(4-aminocyclohexyl)-N-[(1S,2R,…

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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)	2.20	6.36	-43.7	4	3	1	57	267.437	3	↓ MOL2 SDF SMILES Flexibase

70117248

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]acetamide 2-(4-aminocyclohexyl)-N-[(1S,2R,…

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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)	2.20	5.34	-49.88	4	3	1	57	267.437	3	↓ MOL2 SDF SMILES Flexibase

70117249

Analogs

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Popular Name: 2-(4-aminocyclohexyl)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-(4-aminocyclohexyl)-N-[(1R,2R,…

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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)	2.20	5.97	-44.06	4	3	1	57	267.437	3	↓ MOL2 SDF SMILES Flexibase

70117250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminocyclohexyl)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]acetamide 2-(4-aminocyclohexyl)-N-[(1R,2R,…

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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)	2.20	5.51	-50.02	4	3	1	57	267.437	3	↓ MOL2 SDF SMILES Flexibase

70117259

Analogs

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Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-[(1S,2S)-2-aminocyclohexyl]-N-…

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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)	2.49	6.18	-50.83	4	3	1	57	267.437	3	↓ MOL2 SDF SMILES Flexibase

70117260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]acetamide 2-[(1S,2S)-2-aminocyclohexyl]-N-…

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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)	2.49	5.39	-50.64	4	3	1	57	267.437	3	↓ MOL2 SDF SMILES Flexibase

70117261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,2S)-2-aminocyclohexyl]-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-[(1S,2S)-2-aminocyclohexyl]-N-…

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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)	2.49	5.8	-50.77	4	3	1	57	267.437	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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