ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

35634884

Analogs

37865006
37865007
37865008

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[4-[(1S)-1-(methylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[4-[(1S)-1-(methy…

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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)	3.98	7.98	-40.06	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

35634885

Analogs

37865006
37865007
37865008

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[4-[(1R)-1-(methylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[4-[(1R)-1-(methy…

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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)	3.98	7.98	-41.04	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

35635048

Analogs

37865008
37865010
37865011

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[4-[(1S)-1-(ethylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[4-[(1S)-1-(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)	4.35	8.83	-38.91	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

35635049

Analogs

37865008
37865010
37865011

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[4-[(1R)-1-(ethylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[4-[(1R)-1-(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)	4.35	8.81	-39.81	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

35635232

Analogs

37865012
37865013

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[3-[(1S)-1-(methy…

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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)	3.95	7.98	-39.21	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

35635233

Analogs

37865012
37865013

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[3-[(1R)-1-(methylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[3-[(1R)-1-(methy…

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Activity (Go SEA)

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)	3.95	7.98	-45.14	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

35635390

Analogs

37865014
37865015
37865016
37865017

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[3-[(1S)-1-(ethylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[3-[(1S)-1-(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)	4.33	8.83	-37.53	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

35635391

Analogs

37865014
37865015
37865016
37865017

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[3-[(1R)-1-(ethylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[3-[(1R)-1-(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)	4.33	8.82	-43.87	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

35643118

Analogs

37865018
37865019

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[2-[(1S)-1-(methylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[2-[(1S)-1-(methy…

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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)	3.93	8.3	-48.79	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

35643121

Analogs

37865018
37865019

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[2-[(1R)-1-(methylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[2-[(1R)-1-(methy…

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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)	3.93	8.3	-47.32	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

35643578

Analogs

37865020
37865021
37865023

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[2-[(1S)-1-(ethylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[2-[(1S)-1-(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)	4.30	9.14	-47.19	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

35643582

Analogs

37865018
37865019
37865020
37865021
37865023

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[2-[(1R)-1-(ethylamino)ethyl]phenyl]acetamide 2-cyclohexyl-N-[2-[(1R)-1-(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)	4.30	9.13	-45.8	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

19989894

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(2-cyclohexylacetyl)amino]benzoic 4-chloro-2-[(2-cyclohexylacetyl)…

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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)	4.56	7.94	-42.09	1	4	-1	69	294.758	4	↓ MOL2 SDF SMILES Flexibase

36157187

Analogs

37865146

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyano-3-fluoro-phenyl)-2-cyclohexyl-acetamide N-(2-cyano-3-fluoro-phenyl)-2-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)	3.68	7.96	-7.4	1	3	0	53	260.312	3	↓ MOL2 SDF SMILES Flexibase

36159111

Analogs

37865147

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-carbamothioyl-3-fluoro-phenyl)-2-cyclohexyl-acetamide N-(2-carbamothioyl-3-fluoro-phen…

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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)	3.73	6.79	-14.76	3	3	0	55	294.395	4	↓ MOL2 SDF SMILES Flexibase

13252470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[4-(acetylsulfamoyl)phenyl]amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[[4-(acetylsulfamoyl)phenyl…

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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	3	-116.09	1	8	-2	139	380.422	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.57	0.88	-64.9	2	8	-1	136	381.43	6	↓ MOL2 SDF SMILES Flexibase

13252492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2,5-difluorophenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(2,5-difluorophenyl)amino]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	7.25	-62.06	1	4	-1	69	296.293	4	↓ MOL2 SDF SMILES Flexibase

13252518

Analogs

36751752
36751754
36751756
36751758
36751772

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(4-bromo-2-fluoro-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(4-bromo-2-fluoro-phenyl)a…

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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)	3.52	7.81	-55.68	1	4	-1	69	357.199	4	↓ MOL2 SDF SMILES Flexibase

13252532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(4-bromo-3-methyl-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(4-bromo-3-methyl-phenyl)a…

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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)	3.81	8.35	-62.94	1	4	-1	69	353.236	4	↓ MOL2 SDF SMILES Flexibase

13252554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2-chloro-4-fluoro-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(2-chloro-4-fluoro-phenyl)…

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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)	3.39	7.77	-55.74	1	4	-1	69	312.748	4	↓ MOL2 SDF SMILES Flexibase

13252566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2,3-dichlorophenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(2,3-dichlorophenyl)amino]…

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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)	3.88	8.25	-56.64	1	4	-1	69	329.203	4	↓ MOL2 SDF SMILES Flexibase

13252572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3,4-difluorophenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(3,4-difluorophenyl)amino]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	7.27	-58.49	1	4	-1	69	296.293	4	↓ MOL2 SDF SMILES Flexibase

13252600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[3,5-bis(methoxycarbonyl)phenyl]amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[[3,5-bis(methoxycarbonyl)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)	2.89	8.43	-71.68	1	8	-1	122	376.385	8	↓ MOL2 SDF SMILES Flexibase

13252614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3-chloro-4-fluoro-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(3-chloro-4-fluoro-phenyl)…

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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)	3.39	7.71	-58.67	1	4	-1	69	312.748	4	↓ MOL2 SDF SMILES Flexibase

13252626

Analogs

8987260

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(3,5-dimethylphenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(3,5-dimethylphenyl)amino]…

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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)	3.45	8.47	-65.79	1	4	-1	69	288.367	4	↓ MOL2 SDF SMILES Flexibase

13252641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(4-chloro-2-fluoro-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(4-chloro-2-fluoro-phenyl)…

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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)	3.39	7.7	-55.8	1	4	-1	69	312.748	4	↓ MOL2 SDF SMILES Flexibase

13252655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(5-fluoro-2-methyl-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(5-fluoro-2-methyl-phenyl)…

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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)	3.16	8.06	-68.72	1	4	-1	69	292.33	4	↓ MOL2 SDF SMILES Flexibase

13253186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[4-chloro-3-(dimethylsulfamoyl)phenyl]amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[[4-chloro-3-(dimethylsulfa…

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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)	2.54	5.4	-61.81	1	7	-1	107	401.892	6	↓ MOL2 SDF SMILES Flexibase

13253200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(4-acetylphenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(4-acetylphenyl)amino]-2-o…

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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	7.52	-61.68	1	5	-1	86	302.35	5	↓ MOL2 SDF SMILES Flexibase

13253214

Analogs

43413593

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(4-cyanophenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(4-cyanophenyl)amino]-2-ox…

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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)	2.38	7.49	-63.37	1	5	-1	93	285.323	4	↓ MOL2 SDF SMILES Flexibase

13253228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]cyclohexane-1-carboxylic 1-[2-oxo-2-[(2,3,4-trifluorophen…

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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)	2.97	7.38	-52.92	1	4	-1	69	314.283	4	↓ MOL2 SDF SMILES Flexibase

13253242

Analogs

37794684
37794685
37794686
37794687

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2-chloro-5-nitro-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(2-chloro-5-nitro-phenyl)a…

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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)	3.19	8.45	-69.99	1	7	-1	115	339.755	5	↓ MOL2 SDF SMILES Flexibase

13253256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]cyclohexane-1-carboxylic 1-[2-oxo-2-[[4-(trifluoromethyl)…

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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)	3.52	8.14	-62.45	1	4	-1	69	328.31	5	↓ MOL2 SDF SMILES Flexibase

13253269

Analogs

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Popular Name: 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(3-methylsulfanylphenyl)am…

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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)	3.03	8.16	-62.92	1	4	-1	69	306.407	5	↓ MOL2 SDF SMILES Flexibase

13253293

Analogs

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Popular Name: 1-[2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]cyclohexane-1-carboxylic 1-[2-oxo-2-[[2-(trifluoromethyl)…

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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)	3.47	8.41	-58.63	1	4	-1	69	328.31	5	↓ MOL2 SDF SMILES Flexibase

13253309

Analogs

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Popular Name: 1-[2-oxo-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]cyclohexane-1-carboxylic 1-[2-oxo-2-[(3,4,5-trimethoxyphe…

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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)	2.25	6.28	-65.25	1	7	-1	97	350.391	7	↓ MOL2 SDF SMILES Flexibase

13253330

Analogs

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Popular Name: 1-[2-oxo-2-[(4-thiocyanatophenyl)amino]ethyl]cyclohexane-1-carboxylic 1-[2-oxo-2-[(4-thiocyanatophenyl…

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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)	2.83	7.69	-70.89	1	5	-1	93	317.39	5	↓ MOL2 SDF SMILES Flexibase

13253342

Analogs

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Popular Name: 1-[2-[(4-chloro-2-methyl-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(4-chloro-2-methyl-phenyl)…

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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	8.44	-61.59	1	4	-1	69	308.785	4	↓ MOL2 SDF SMILES Flexibase

13253379

Analogs

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Popular Name: 1-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[[3,5-bis(trifluoromethyl)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)	4.34	9.18	-61.13	1	4	-1	69	396.307	6	↓ MOL2 SDF SMILES Flexibase

13253423

Analogs

37796168
37796169
37796170
37796171

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Popular Name: 1-[2-[[2-chloro-5-(diethylsulfamoyl)phenyl]amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[[2-chloro-5-(diethylsulfam…

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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)	3.29	7.48	-69.65	1	7	-1	107	429.946	8	↓ MOL2 SDF SMILES Flexibase

13253464

Analogs

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Popular Name: 1-[2-[[4-chloro-3-(diethylsulfamoyl)phenyl]amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[[4-chloro-3-(diethylsulfam…

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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)	3.29	7.55	-66.46	1	7	-1	107	429.946	8	↓ MOL2 SDF SMILES Flexibase

13253527

Analogs

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Popular Name: 1-[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[[4-(dimethylcarbamoyl)phen…

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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)	1.59	7	-73.08	1	6	-1	90	331.392	5	↓ MOL2 SDF SMILES Flexibase

13253608

Analogs

37792674
37792675
6329141
6329144
6329152

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Popular Name: 1-[2-[(2,4-dibromophenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(2,4-dibromophenyl)amino]-…

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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)	4.17	8.44	-55.55	1	4	-1	69	418.105	4	↓ MOL2 SDF SMILES Flexibase

13253620

Analogs

37788717

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Popular Name: 1-[2-[(2-methylsulfanylphenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(2-methylsulfanylphenyl)am…

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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)	3.01	8.45	-63.42	1	4	-1	69	306.407	5	↓ MOL2 SDF SMILES Flexibase

13253640

Analogs

6328435

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Popular Name: 1-[2-oxo-2-[(2,4,5-trichlorophenyl)amino]ethyl]cyclohexane-1-carboxylic 1-[2-oxo-2-[(2,4,5-trichlorophen…

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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)	4.51	8.72	-57.61	1	4	-1	69	363.648	4	↓ MOL2 SDF SMILES Flexibase

13253654

Analogs

4794903

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Popular Name: 1-[2-[(4-chloro-3-nitro-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(4-chloro-3-nitro-phenyl)a…

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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)	3.19	8.19	-56.22	1	7	-1	115	339.755	5	↓ MOL2 SDF SMILES Flexibase

13253697

Analogs

17032074
17032076
37795036
37795037
37795038

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Popular Name: 1-[2-[(2-fluoro-5-nitro-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(2-fluoro-5-nitro-phenyl)a…

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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	7.87	-69.77	1	7	-1	115	323.3	5	↓ MOL2 SDF SMILES Flexibase

13253711

Analogs

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Popular Name: 1-[2-[(4-fluoro-3-nitro-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(4-fluoro-3-nitro-phenyl)a…

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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	7.84	-56.68	1	7	-1	115	323.3	5	↓ MOL2 SDF SMILES Flexibase

13253721

Analogs

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Popular Name: 1-[2-[(4-ethylphenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(4-ethylphenyl)amino]-2-ox…

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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)	3.54	8.58	-65.54	1	4	-1	69	288.367	5	↓ MOL2 SDF SMILES Flexibase

13253729

Analogs

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Popular Name: 1-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl]cyclohexane-1-carboxylic 1-[2-[(2-methoxy-5-methyl-phenyl…

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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)	3.05	7.17	-64.16	1	5	-1	78	304.366	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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