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ZINC Item

Suppliers, Protomers, & Similar Substances

45619308

Analogs

45619311
45619314

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-N-[(3-acetamidophenyl)methyl]-2,6-dimethyl-morpholine-4-carboxamide (2S,6R)-N-[(3-acetamidophenyl)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)	1.71	4.42	-12.94	2	6	0	71	305.378	3	↓ MOL2 SDF SMILES Flexibase

45619311

Analogs

45619314
45619308

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-N-[(3-acetamidophenyl)methyl]-2,6-dimethyl-morpholine-4-carboxamide (2S,6S)-N-[(3-acetamidophenyl)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)	1.71	4.58	-12.67	2	6	0	71	305.378	3	↓ MOL2 SDF SMILES Flexibase

45619314

Analogs

45619308
45619311

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-N-[(3-acetamidophenyl)methyl]-2,6-dimethyl-morpholine-4-carboxamide (2R,6R)-N-[(3-acetamidophenyl)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)	1.71	4.6	-12.6	2	6	0	71	305.378	3	↓ MOL2 SDF SMILES Flexibase

52880074

Analogs

42792333
42792338
42792623
42792628

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(morpholine-4-carbonylamino)-2-phenyl-propanoic (2R)-2-(morpholine-4-carbonylami…

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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)	1.66	5.66	-58.37	1	6	-1	82	277.3	3	↓ MOL2 SDF SMILES Flexibase

52880076

Analogs

42792333
42792338
42792623
42792628

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(morpholine-4-carbonylamino)-2-phenyl-propanoic (2S)-2-(morpholine-4-carbonylami…

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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)	1.66	5.73	-58.87	1	6	-1	82	277.3	3	↓ MOL2 SDF SMILES Flexibase

52880127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-2-methylmorpholine-4-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(2R)-2-methylmorpholine…

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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)	2.03	6.47	-58.75	1	6	-1	82	291.327	3	↓ MOL2 SDF SMILES Flexibase

52880129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-2-methylmorpholine-4-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(2S)-2-methylmorpholine…

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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)	2.03	6.49	-58.79	1	6	-1	82	291.327	3	↓ MOL2 SDF SMILES Flexibase

52880131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2R)-2-methylmorpholine-4-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(2R)-2-methylmorpholine…

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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)	2.03	6.43	-58.51	1	6	-1	82	291.327	3	↓ MOL2 SDF SMILES Flexibase

52880133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(2S)-2-methylmorpholine-4-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(2S)-2-methylmorpholine…

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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)	2.03	6.42	-58.19	1	6	-1	82	291.327	3	↓ MOL2 SDF SMILES Flexibase

52880350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3R)-3-methylmorpholine-4-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(3R)-3-methylmorpholine…

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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)	2.00	6.2	-57.79	1	6	-1	82	291.327	3	↓ MOL2 SDF SMILES Flexibase

52880352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3S)-3-methylmorpholine-4-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(3S)-3-methylmorpholine…

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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)	2.00	6.15	-57.77	1	6	-1	82	291.327	3	↓ MOL2 SDF SMILES Flexibase

52880354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(3R)-3-methylmorpholine-4-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(3R)-3-methylmorpholine…

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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)	2.00	6.17	-57.47	1	6	-1	82	291.327	3	↓ MOL2 SDF SMILES Flexibase

52880356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(3S)-3-methylmorpholine-4-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(3S)-3-methylmorpholine…

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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)	2.00	6.14	-57.72	1	6	-1	82	291.327	3	↓ MOL2 SDF SMILES Flexibase

71575234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide (2S)-N-[(2,4-dichlorophenyl)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)	3.99	6.11	-8.7	1	4	0	42	357.159	3	↓ MOL2 SDF SMILES Flexibase

71575236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(trifluoromethyl)morpholine-4-carboxamide (2R)-N-[(2,4-dichlorophenyl)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)	3.99	6.12	-7.66	1	4	0	42	357.159	3	↓ MOL2 SDF SMILES Flexibase

53909639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboxamide N-[[2-(diethylaminomethyl)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)	2.30	7.48	-36.32	2	5	1	46	306.43	6	↓ MOL2 SDF SMILES Flexibase

53909664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboxamide N-[[4-(diethylaminomethyl)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)	2.35	7.27	-43.06	2	5	1	46	306.43	6	↓ MOL2 SDF SMILES Flexibase

58541490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]morpholine-4-carboxamide N-[[4-(2,2,2-trifluoroethoxymeth…

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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	5.17	-12.06	1	5	0	51	332.322	6	↓ MOL2 SDF SMILES Flexibase

54921913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-isopropylphenyl)-2-methyl-propyl]morpholine-4-carboxamide N-[(1R)-1-(4-isopropylphenyl)-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)	4.61	8.05	-8.21	1	4	0	42	304.434	4	↓ MOL2 SDF SMILES Flexibase

54921914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]morpholine-4-carboxamide N-[(1S)-1-(4-isopropylphenyl)-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)	4.61	7.85	-7.29	1	4	0	42	304.434	4	↓ MOL2 SDF SMILES Flexibase

54923115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3,4-diethoxyphenyl)-2-methyl-propyl]morpholine-4-carboxamide N-[(1R)-1-(3,4-diethoxyphenyl)-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)	3.49	6.64	-11.28	1	6	0	60	350.459	7	↓ MOL2 SDF SMILES Flexibase

54923117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3,4-diethoxyphenyl)-2-methyl-propyl]morpholine-4-carboxamide N-[(1S)-1-(3,4-diethoxyphenyl)-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)	3.49	6.72	-11.09	1	6	0	60	350.459	7	↓ MOL2 SDF SMILES Flexibase

54976295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethyl-morpholine-4-carboxamide (2S,6R)-N-[[2-(difluoromethoxy)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)	3.08	5.13	-10.29	1	5	0	51	314.332	4	↓ MOL2 SDF SMILES Flexibase

54976297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethyl-morpholine-4-carboxamide (2S,6S)-N-[[2-(difluoromethoxy)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)	3.08	5.3	-10.05	1	5	0	51	314.332	4	↓ MOL2 SDF SMILES Flexibase

54976299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethyl-morpholine-4-carboxamide (2R,6R)-N-[[2-(difluoromethoxy)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)	3.08	5.3	-9.91	1	5	0	51	314.332	4	↓ MOL2 SDF SMILES Flexibase

65591276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluoro-4-isopropoxy-phenyl)methyl]morpholine-4-carboxamide N-[(3-fluoro-4-isopropoxy-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)	2.68	4.94	-10.82	1	5	0	51	296.342	4	↓ MOL2 SDF SMILES Flexibase

67086676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-N-[[3-(2-dimethylaminoethylcarbamoyl)phenyl]methyl]-2,6-dimethyl-morpholine-4-carboxamide (2S,6R)-N-[[3-(2-dimethylaminoet…

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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)	1.72	5.9	-51.34	3	7	1	75	363.482	6	↓ MOL2 SDF SMILES Flexibase

67086679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-N-[[3-(2-dimethylaminoethylcarbamoyl)phenyl]methyl]-2,6-dimethyl-morpholine-4-carboxamide (2S,6S)-N-[[3-(2-dimethylaminoet…

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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)	1.72	6.08	-51.02	3	7	1	75	363.482	6	↓ MOL2 SDF SMILES Flexibase

67086681

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-N-[[3-(2-dimethylaminoethylcarbamoyl)phenyl]methyl]-2,6-dimethyl-morpholine-4-carboxamide (2R,6R)-N-[[3-(2-dimethylaminoet…

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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)	1.72	6.09	-50.86	3	7	1	75	363.482	6	↓ MOL2 SDF SMILES Flexibase

69841401

Analogs

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Popular Name: (2R)-2-ethyl-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide (2R)-2-ethyl-N-[(4-methoxyphenyl…

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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)	2.71	4.89	-8.98	1	5	0	51	278.352	4	↓ MOL2 SDF SMILES Flexibase

69841403

Analogs

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Popular Name: (2S)-2-ethyl-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide (2S)-2-ethyl-N-[(4-methoxyphenyl…

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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)	2.71	4.89	-8.96	1	5	0	51	278.352	4	↓ MOL2 SDF SMILES Flexibase

69961005

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-N-[(1R)-2-methyl-1-(o-tolyl)propyl]morpholine-4-carboxamide (2S,6R)-2,6-dimethyl-N-[(1R)-2-m…

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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)	4.22	8.04	-7.42	1	4	0	42	304.434	3	↓ MOL2 SDF SMILES Flexibase

69961009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,6-dimethyl-N-[(1S)-2-methyl-1-(o-tolyl)propyl]morpholine-4-carboxamide (2S,6R)-2,6-dimethyl-N-[(1S)-2-m…

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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)	4.22	7.94	-8.01	1	4	0	42	304.434	3	↓ MOL2 SDF SMILES Flexibase

69961012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-N-[(1R)-2-methyl-1-(o-tolyl)propyl]morpholine-4-carboxamide (2R,6R)-2,6-dimethyl-N-[(1R)-2-m…

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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)	4.22	8.19	-7.39	1	4	0	42	304.434	3	↓ MOL2 SDF SMILES Flexibase

69961017

Analogs

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Popular Name: (2R,6R)-2,6-dimethyl-N-[(1S)-2-methyl-1-(o-tolyl)propyl]morpholine-4-carboxamide (2R,6R)-2,6-dimethyl-N-[(1S)-2-m…

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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)	4.22	8.09	-7.74	1	4	0	42	304.434	3	↓ MOL2 SDF SMILES Flexibase

67465848

Analogs

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Popular Name: (2S,6R)-N-[[3-(isopropylcarbamoyl)phenyl]methyl]-2,6-dimethyl-morpholine-4-carboxamide (2S,6R)-N-[[3-(isopropylcarbamoy…

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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)	2.36	5.43	-15.09	2	6	0	71	333.432	4	↓ MOL2 SDF SMILES Flexibase

67465850

Analogs

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Popular Name: (2S,6S)-N-[[3-(isopropylcarbamoyl)phenyl]methyl]-2,6-dimethyl-morpholine-4-carboxamide (2S,6S)-N-[[3-(isopropylcarbamoy…

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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)	2.36	5.61	-14.84	2	6	0	71	333.432	4	↓ MOL2 SDF SMILES Flexibase

67465853

Analogs

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Popular Name: (2R,6R)-N-[[3-(isopropylcarbamoyl)phenyl]methyl]-2,6-dimethyl-morpholine-4-carboxamide (2R,6R)-N-[[3-(isopropylcarbamoy…

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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)	2.36	5.61	-14.67	2	6	0	71	333.432	4	↓ MOL2 SDF SMILES Flexibase

67469417

Analogs

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Popular Name: (6R)-2,2,6-trimethyl-N-[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]morpholine-4-carboxamide (6R)-2,2,6-trimethyl-N-[(1S)-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)	2.57	3.31	-15.38	2	7	0	88	369.487	4	↓ MOL2 SDF SMILES Flexibase

48979824

Analogs

45633833
45633834
45633835

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Popular Name: (2R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-morpholine-4-carboxamide (2R)-N-[(1S)-1-(3-fluorophenyl)e…

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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	5.67	-10.24	1	4	0	42	266.316	2	↓ MOL2 SDF SMILES Flexibase

48979827

Analogs

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Popular Name: (2S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-morpholine-4-carboxamide (2S)-N-[(1S)-1-(3-fluorophenyl)e…

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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	5.67	-10.14	1	4	0	42	266.316	2	↓ MOL2 SDF SMILES Flexibase

48979830

Analogs

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Popular Name: (2R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-methyl-morpholine-4-carboxamide (2R)-N-[(1R)-1-(3-fluorophenyl)e…

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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	5.66	-9.94	1	4	0	42	266.316	2	↓ MOL2 SDF SMILES Flexibase

48979833

Analogs

45633833
45633834
45633835

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Popular Name: (2S)-N-[(1R)-1-(3-fluorophenyl)ethyl]-2-methyl-morpholine-4-carboxamide (2S)-N-[(1R)-1-(3-fluorophenyl)e…

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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	5.66	-10.03	1	4	0	42	266.316	2	↓ MOL2 SDF SMILES Flexibase

48979842

Analogs

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Popular Name: (3R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methyl-morpholine-4-carboxamide (3R)-N-[(1S)-1-(3-fluorophenyl)e…

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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)	2.82	5.54	-9.32	1	4	0	42	266.316	2	↓ MOL2 SDF SMILES Flexibase

48979845

Analogs

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Popular Name: (3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methyl-morpholine-4-carboxamide (3S)-N-[(1S)-1-(3-fluorophenyl)e…

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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)	2.82	5.5	-9.34	1	4	0	42	266.316	2	↓ MOL2 SDF SMILES Flexibase

48979848

Analogs

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Popular Name: (3R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-morpholine-4-carboxamide (3R)-N-[(1R)-1-(3-fluorophenyl)e…

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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)	2.82	5.54	-9.03	1	4	0	42	266.316	2	↓ MOL2 SDF SMILES Flexibase

48979851

Analogs

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Popular Name: (3S)-N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-morpholine-4-carboxamide (3S)-N-[(1R)-1-(3-fluorophenyl)e…

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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)	2.82	5.5	-9.15	1	4	0	42	266.316	2	↓ MOL2 SDF SMILES Flexibase

48980702

Analogs

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Popular Name: (2R)-N-[(2-ethoxyphenyl)methyl]-2-methyl-morpholine-4-carboxamide (2R)-N-[(2-ethoxyphenyl)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)	2.54	5.01	-9.51	1	5	0	51	278.352	4	↓ MOL2 SDF SMILES Flexibase

48980705

Analogs

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Popular Name: (2S)-N-[(2-ethoxyphenyl)methyl]-2-methyl-morpholine-4-carboxamide (2S)-N-[(2-ethoxyphenyl)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)	2.54	5.03	-9.47	1	5	0	51	278.352	4	↓ MOL2 SDF SMILES Flexibase

48980715

Analogs

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Popular Name: (3S)-N-[(2-ethoxyphenyl)methyl]-3-methyl-morpholine-4-carboxamide (3S)-N-[(2-ethoxyphenyl)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)	2.50	4.87	-8.71	1	5	0	51	278.352	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 16945
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 = 16945 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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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