ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36880277

Analogs

37862096
46466943

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminocyclohexyl)-3-(3-methylphenoxy)propanamide N-(4-aminocyclohexyl)-3-(3-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)	1.59	4.53	-50.1	4	4	1	66	277.388	5	↓ MOL2 SDF SMILES Flexibase

36880295

Analogs

46466946
616119

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminocyclohexyl)-3-phenoxy-propanamide N-(4-aminocyclohexyl)-3-phenoxy-…

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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)	1.17	3.85	-50.07	4	4	1	66	263.361	5	↓ MOL2 SDF SMILES Flexibase

36880418

Analogs

37862096
46466943

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(methylamino)cyclohexyl]-3-(3-methylphenoxy)propanamide N-[4-(methylamino)cyclohexyl]-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)	2.50	6.21	-45.02	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

36880435

Analogs

46466946
616119

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(methylamino)cyclohexyl]-3-phenoxy-propanamide N-[4-(methylamino)cyclohexyl]-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)	2.07	5.55	-44.94	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

36880561

Analogs

46466946
616119

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(ethylamino)cyclohexyl]-3-phenoxy-propanamide N-[4-(ethylamino)cyclohexyl]-3-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)	2.45	6.81	-47.13	3	4	1	55	291.415	7	↓ MOL2 SDF SMILES Flexibase

54429997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-3-(2,4-dimethylphenoxy)propanamide N-cyclohexyl-3-(2,4-dimethylphen…

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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)	4.10	8.03	-8.09	1	3	0	38	275.392	5	↓ MOL2 SDF SMILES Flexibase

54430126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenoxy)-N-cyclohexyl-propanamide 3-(3-chlorophenoxy)-N-cyclohexyl…

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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	7.13	-8.38	1	3	0	38	281.783	5	↓ MOL2 SDF SMILES Flexibase

54430427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-3-(3,4-dimethylphenoxy)propanamide N-cyclohexyl-3-(3,4-dimethylphen…

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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)	4.10	7.84	-8.21	1	3	0	38	275.392	5	↓ MOL2 SDF SMILES Flexibase

54439740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-3-(2,3-dimethylphenoxy)propanamide N-cyclohexyl-3-(2,3-dimethylphen…

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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)	4.08	7.92	-8.28	1	3	0	38	275.392	5	↓ MOL2 SDF SMILES Flexibase

13426217

Analogs

13168320

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(2-ethoxyphenoxy)propanoylamino]cyclohexane-1-carboxylic 1-[3-(2-ethoxyphenoxy)propanoyla…

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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	8.3	-60.29	1	6	-1	88	334.392	8	↓ MOL2 SDF SMILES Flexibase

69049097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-bromophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]propanamide 3-(3-bromophenoxy)-N-[(1S,2R)-2-…

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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	8.49	-6.47	1	3	0	38	340.261	5	↓ MOL2 SDF SMILES Flexibase

69049099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-bromophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]propanamide 3-(3-bromophenoxy)-N-[(1S,2S)-2-…

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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	8.09	-6.94	1	3	0	38	340.261	5	↓ MOL2 SDF SMILES Flexibase

69049100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-bromophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]propanamide 3-(3-bromophenoxy)-N-[(1R,2R)-2-…

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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	8.09	-6.93	1	3	0	38	340.261	5	↓ MOL2 SDF SMILES Flexibase

69049103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-bromophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]propanamide 3-(3-bromophenoxy)-N-[(1R,2S)-2-…

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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	8.49	-6.48	1	3	0	38	340.261	5	↓ MOL2 SDF SMILES Flexibase

55475496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-(2-hydroxyethyl)-3-phenoxy-propanamide N-cyclohexyl-N-(2-hydroxyethyl)-…

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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	6.15	-8.79	1	4	0	50	291.391	7	↓ MOL2 SDF SMILES Flexibase

69823652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S,2R)-2-methylcyclohexyl]-3-[4-(3-oxobutyl)phenoxy]propanamide N-methyl-N-[(1S,2R)-2-methylcycl…

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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)	4.00	11.14	-11.29	0	4	0	47	345.483	8	↓ MOL2 SDF SMILES Flexibase

69823654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S,2S)-2-methylcyclohexyl]-3-[4-(3-oxobutyl)phenoxy]propanamide N-methyl-N-[(1S,2S)-2-methylcycl…

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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)	4.00	11.62	-11.46	0	4	0	47	345.483	8	↓ MOL2 SDF SMILES Flexibase

69823656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R,2R)-2-methylcyclohexyl]-3-[4-(3-oxobutyl)phenoxy]propanamide N-methyl-N-[(1R,2R)-2-methylcycl…

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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)	4.00	11.62	-11.45	0	4	0	47	345.483	8	↓ MOL2 SDF SMILES Flexibase

69823658

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R,2S)-2-methylcyclohexyl]-3-[4-(3-oxobutyl)phenoxy]propanamide N-methyl-N-[(1R,2S)-2-methylcycl…

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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)	4.00	10.97	-10.35	0	4	0	47	345.483	8	↓ MOL2 SDF SMILES Flexibase

70110231

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.96	6.46	-7.87	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

70110232

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.96	5.67	-8.32	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

70110233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminophenoxy)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propanamide 3-(2-aminophenoxy)-N-[(1R,2R,4R)…

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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)	2.96	6.08	-8.43	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

70110234

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.96	5.84	-8.43	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

70110319

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.58	6.34	-8.02	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

70110320

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.58	5.55	-8.54	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

70110321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-aminophenoxy)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propanamide 3-(3-aminophenoxy)-N-[(1R,2R,4R)…

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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)	2.58	5.96	-8.59	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

70110322

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.58	5.72	-8.6	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

70110399

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.60	6.33	-7.87	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

70110400

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.60	5.54	-8.39	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

70110401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-aminophenoxy)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propanamide 3-(4-aminophenoxy)-N-[(1R,2R,4R)…

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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)	2.60	5.95	-8.46	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

70110402

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.60	5.71	-8.5	3	4	0	64	290.407	5	↓ MOL2 SDF SMILES Flexibase

37224432

Analogs

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Popular Name: 4-[3-(cyclohexylamino)-3-oxo-propoxy]benzoic 4-[3-(cyclohexylamino)-3-oxo-pro…

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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	7.18	-53.19	1	5	-1	78	290.339	6	↓ MOL2 SDF SMILES Flexibase

37224452

Analogs

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Popular Name: 3-[3-(cyclohexylamino)-3-oxo-propoxy]benzoic 3-[3-(cyclohexylamino)-3-oxo-pro…

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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	7.18	-52.59	1	5	-1	78	290.339	6	↓ MOL2 SDF SMILES Flexibase

37224498

Analogs

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Popular Name: 2-[3-(cyclohexylamino)-3-oxo-propoxy]benzoic 2-[3-(cyclohexylamino)-3-oxo-pro…

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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)	3.22	7.93	-55.15	1	5	-1	78	290.339	6	↓ MOL2 SDF SMILES Flexibase

41781006

Analogs

41781007
41781008
41781009

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-(2-methoxyphenoxy)propanamide N-[(1S,2R,3R)-2,3-dimethylcycloh…

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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)	3.37	7.44	-9.51	1	4	0	48	305.418	6	↓ MOL2 SDF SMILES Flexibase

41781007

Analogs

41781008
41781009
41781006

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Popular Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-(2-methoxyphenoxy)propanamide N-[(1S,2R,3S)-2,3-dimethylcycloh…

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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)	3.37	8.24	-8.97	1	4	0	48	305.418	6	↓ MOL2 SDF SMILES Flexibase

41781008

Analogs

41781009
41781006
41781007

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(2-methoxyphenoxy)propanamide N-[(1R,2R,3R)-2,3-dimethylcycloh…

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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)	3.37	7.61	-9.48	1	4	0	48	305.418	6	↓ MOL2 SDF SMILES Flexibase

41781009

Analogs

41781006
41781007
41781008

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(2-methoxyphenoxy)propanamide N-[(1R,2R,3S)-2,3-dimethylcycloh…

Find On: PubMed — Wikipedia — Google

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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)	3.37	7.84	-9.52	1	4	0	48	305.418	6	↓ MOL2 SDF SMILES Flexibase

41782059

Analogs

41782060
41782061
41782062

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-fluorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]propanamide 3-(2-fluorophenoxy)-N-[(1S,2R)-2…

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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)	3.63	7.94	-8.21	1	3	0	38	279.355	5	↓ MOL2 SDF SMILES Flexibase

41782060

Analogs

41782061
41782062
41782059

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-fluorophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]propanamide 3-(2-fluorophenoxy)-N-[(1S,2S)-2…

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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)	3.63	7.55	-8.63	1	3	0	38	279.355	5	↓ MOL2 SDF SMILES Flexibase

41782061

Analogs

41782062
41782059
41782060

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-fluorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]propanamide 3-(2-fluorophenoxy)-N-[(1R,2R)-2…

Find On: PubMed — Wikipedia — Google

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)	3.63	7.55	-8.61	1	3	0	38	279.355	5	↓ MOL2 SDF SMILES Flexibase

41782062

Analogs

41782059
41782060
41782061

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-fluorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]propanamide 3-(2-fluorophenoxy)-N-[(1R,2S)-2…

Find On: PubMed — Wikipedia — Google

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)	3.63	7.94	-8.2	1	3	0	38	279.355	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 123324
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 123324 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=123324&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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    });
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