ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

20887518

Analogs

20887520
20887522

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]-2-methoxy-benzamide N-[(1S)-1-[(2S,6R)-2,6-dimethylm…

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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)	2.72	6.52	-10.38	1	6	0	68	348.443	5	↓ MOL2 SDF SMILES Flexibase

20887520

Analogs

20887522
20887518

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]-2-methoxy-benzamide N-[(1S)-1-[(2S,6S)-2,6-dimethylm…

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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)	2.72	6.44	-10.32	1	6	0	68	348.443	5	↓ MOL2 SDF SMILES Flexibase

20887522

Analogs

20887518
20887520

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]-2-methoxy-benzamide N-[(1S)-1-[(2R,6R)-2,6-dimethylm…

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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)	2.72	6.23	-10.18	1	6	0	68	348.443	5	↓ MOL2 SDF SMILES Flexibase

68850975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-2-methyl-benzamide N-[2-[(2S,6R)-2,6-dimethylmorpho…

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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)	1.46	4.99	-8.63	1	5	0	59	290.363	3	↓ MOL2 SDF SMILES Flexibase

68850977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-2-methyl-benzamide N-[2-[(2R,6R)-2,6-dimethylmorpho…

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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)	1.46	5.13	-8.67	1	5	0	59	290.363	3	↓ MOL2 SDF SMILES Flexibase

68850980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-2-methyl-benzamide N-[2-[(2S,6S)-2,6-dimethylmorpho…

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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)	1.46	5.13	-8.4	1	5	0	59	290.363	3	↓ MOL2 SDF SMILES Flexibase

58323404

Analogs

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Popular Name: N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]-4-(trifluoromethoxy)benzamide N-[(1S)-1-methyl-2-morpholino-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)	1.63	3.22	-8.61	1	6	0	68	346.305	5	↓ MOL2 SDF SMILES Flexibase

58323407

Analogs

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Popular Name: N-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]-4-(trifluoromethoxy)benzamide N-[(1R)-1-methyl-2-morpholino-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)	1.63	3.24	-8.59	1	6	0	68	346.305	5	↓ MOL2 SDF SMILES Flexibase

58332641

Analogs

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Popular Name: 3-fluoro-4-methyl-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 3-fluoro-4-methyl-N-[(1S)-1-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)	1.20	4.12	-9.03	1	5	0	59	294.326	3	↓ MOL2 SDF SMILES Flexibase

58332643

Analogs

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Popular Name: 3-fluoro-4-methyl-N-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 3-fluoro-4-methyl-N-[(1R)-1-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)	1.20	4.14	-9.04	1	5	0	59	294.326	3	↓ MOL2 SDF SMILES Flexibase

58332850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 2,4-dimethyl-N-[(1S)-1-methyl-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)	1.48	4.75	-8.67	1	5	0	59	290.363	3	↓ MOL2 SDF SMILES Flexibase

58332853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-N-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 2,4-dimethyl-N-[(1R)-1-methyl-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)	1.48	4.77	-8.71	1	5	0	59	290.363	3	↓ MOL2 SDF SMILES Flexibase

58341851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-fluoro-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 2-bromo-5-fluoro-N-[(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)	1.56	4.1	-8.61	1	5	0	59	359.195	3	↓ MOL2 SDF SMILES Flexibase

58341852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-fluoro-N-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 2-bromo-5-fluoro-N-[(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)	1.56	4.12	-8.56	1	5	0	59	359.195	3	↓ MOL2 SDF SMILES Flexibase

69140712

Analogs

45652968
45652970

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]-2-methyl-benzamide N-[(1R)-1-[(2S,6R)-2,6-dimethylm…

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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)	2.56	6.75	-7.27	1	5	0	59	332.444	4	↓ MOL2 SDF SMILES Flexibase

69140714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]-2-methyl-benzamide N-[(1R)-1-[(2R,6R)-2,6-dimethylm…

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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)	2.56	7.02	-7.46	1	5	0	59	332.444	4	↓ MOL2 SDF SMILES Flexibase

69140756

Analogs

45701519
45701523

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-2-oxo-ethyl]benzamide 4-tert-butyl-N-[(1R)-2-[(2S,6R)-…

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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)	3.09	7.24	-8.2	1	5	0	59	346.471	4	↓ MOL2 SDF SMILES Flexibase

69140760

Analogs

45701519
45701523

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1R)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-methyl-2-oxo-ethyl]benzamide 4-tert-butyl-N-[(1R)-2-[(2S,6S)-…

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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)	3.09	7.41	-8.02	1	5	0	59	346.471	4	↓ MOL2 SDF SMILES Flexibase

69140762

Analogs

45701519
45701523

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methyl-2-oxo-ethyl]benzamide 4-tert-butyl-N-[(1R)-2-[(2R,6R)-…

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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)	3.09	7.39	-8.18	1	5	0	59	346.471	4	↓ MOL2 SDF SMILES Flexibase

69141012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1R)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]benzamide 4-tert-butyl-N-[(1R)-1-[(2S,6R)-…

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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)	3.87	8.4	-7.28	1	5	0	59	374.525	5	↓ MOL2 SDF SMILES Flexibase

69141014

Analogs

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Popular Name: 4-tert-butyl-N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]benzamide 4-tert-butyl-N-[(1R)-1-[(2S,6S)-…

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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)	3.87	8.57	-7.14	1	5	0	59	374.525	5	↓ MOL2 SDF SMILES Flexibase

69141017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1R)-1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]benzamide 4-tert-butyl-N-[(1R)-1-[(2R,6R)-…

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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)	3.87	8.57	-7.26	1	5	0	59	374.525	5	↓ MOL2 SDF SMILES Flexibase

69141019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]-2-fluoro-benzamide N-[(1R)-1-[(2S,6R)-2,6-dimethylm…

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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)	2.28	6.49	-10.4	1	5	0	59	336.407	4	↓ MOL2 SDF SMILES Flexibase

69141033

Analogs

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Popular Name: N-[(1R)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]-4-methoxy-benzamide N-[(1R)-1-[(2S,6R)-2,6-dimethylm…

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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)	2.22	5.4	-8.39	1	6	0	68	348.443	5	↓ MOL2 SDF SMILES Flexibase

69141035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]-4-methoxy-benzamide N-[(1R)-1-[(2S,6S)-2,6-dimethylm…

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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)	2.22	5.56	-8.22	1	6	0	68	348.443	5	↓ MOL2 SDF SMILES Flexibase

69141037

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]-4-methoxy-benzamide N-[(1R)-1-[(2R,6R)-2,6-dimethylm…

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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)	2.22	5.56	-8.38	1	6	0	68	348.443	5	↓ MOL2 SDF SMILES Flexibase

69141041

Analogs

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Popular Name: N-[(1R)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]-3-methyl-benzamide N-[(1R)-1-[(2S,6R)-2,6-dimethylm…

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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)	2.59	6.63	-7.93	1	5	0	59	332.444	4	↓ MOL2 SDF SMILES Flexibase

69141043

Analogs

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Popular Name: N-[(1R)-1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-propyl]-3-methyl-benzamide N-[(1R)-1-[(2R,6R)-2,6-dimethylm…

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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)	2.59	6.86	-7.96	1	5	0	59	332.444	4	↓ MOL2 SDF SMILES Flexibase

69141192

Analogs

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Popular Name: 4-chloro-N-[(1S,2R)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-butyl]benzamide 4-chloro-N-[(1S,2R)-1-[(2S,6R)-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)	3.34	7.6	-6.26	1	5	0	59	366.889	5	↓ MOL2 SDF SMILES Flexibase

69141196

Analogs

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Popular Name: 4-chloro-N-[(1S,2S)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-butyl]benzamide 4-chloro-N-[(1S,2S)-1-[(2S,6R)-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)	3.34	7.64	-7.04	1	5	0	59	366.889	5	↓ MOL2 SDF SMILES Flexibase

69141197

Analogs

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Popular Name: 4-chloro-N-[(1R,2R)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-butyl]benzamide 4-chloro-N-[(1R,2R)-1-[(2S,6R)-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)	3.34	7.53	-6.68	1	5	0	59	366.889	5	↓ MOL2 SDF SMILES Flexibase

69141200

Analogs

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Popular Name: 4-chloro-N-[(1R,2S)-1-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-methyl-butyl]benzamide 4-chloro-N-[(1R,2S)-1-[(2S,6R)-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)	3.34	7.62	-6.25	1	5	0	59	366.889	5	↓ MOL2 SDF SMILES Flexibase

69141214

Analogs

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Popular Name: 4-chloro-N-[(1R)-1-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-methyl-butyl]benzamide 4-chloro-N-[(1R)-1-[(2R,6R)-2,6-…

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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	7.94	-6.9	1	5	0	59	366.889	5	↓ MOL2 SDF SMILES Flexibase

62885268

Analogs

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Popular Name: 4-ethoxy-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 4-ethoxy-N-[(1S)-1-methyl-2-morp…

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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)	1.09	3.66	-9.55	1	6	0	68	306.362	5	↓ MOL2 SDF SMILES Flexibase

62885550

Analogs

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Popular Name: 4-(methoxymethyl)-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 4-(methoxymethyl)-N-[(1S)-1-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)	0.61	3.13	-10.07	1	6	0	68	306.362	5	↓ MOL2 SDF SMILES Flexibase

62885551

Analogs

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Popular Name: 4-ethyl-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 4-ethyl-N-[(1S)-1-methyl-2-morph…

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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	4.85	-8.97	1	5	0	59	290.363	4	↓ MOL2 SDF SMILES Flexibase

62885703

Analogs

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Popular Name: N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]-4-pentoxy-benzamide N-[(1S)-1-methyl-2-morpholino-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)	2.66	6.02	-9.17	1	6	0	68	348.443	8	↓ MOL2 SDF SMILES Flexibase

69199981

Analogs

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Popular Name: 4-tert-butyl-N-[(1R)-2-methyl-1-(morpholine-4-carbonyl)propyl]benzamide 4-tert-butyl-N-[(1R)-2-methyl-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)	3.14	6.92	-7.78	1	5	0	59	346.471	5	↓ MOL2 SDF SMILES Flexibase

69199984

Analogs

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Popular Name: 3-methyl-N-[(1R)-2-methyl-1-(morpholine-4-carbonyl)propyl]benzamide 3-methyl-N-[(1R)-2-methyl-1-(mor…

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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)	1.86	5.48	-8.65	1	5	0	59	304.39	4	↓ MOL2 SDF SMILES Flexibase

69199990

Analogs

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Popular Name: 2,6-difluoro-N-[(1R)-2-methyl-1-(morpholine-4-carbonyl)propyl]benzamide 2,6-difluoro-N-[(1R)-2-methyl-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)	1.67	4.89	-11.88	1	5	0	59	326.343	4	↓ MOL2 SDF SMILES Flexibase

69518675

Analogs

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Popular Name: 3,4-dichloro-2-hydroxy-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 3,4-dichloro-2-hydroxy-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)	2.20	2.93	-10.23	2	6	0	79	347.198	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.20	3.93	-46.53	1	6	-1	82	346.19	3	↓ MOL2 SDF SMILES Flexibase

69518677

Analogs

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Popular Name: 3,4-dichloro-2-hydroxy-N-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 3,4-dichloro-2-hydroxy-N-[(1R)-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)	2.20	2.96	-10.28	2	6	0	79	347.198	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.20	3.96	-46.57	1	6	-1	82	346.19	3	↓ MOL2 SDF SMILES Flexibase

69918791

Analogs

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Popular Name: N-[2-(3,3-dimethylmorpholin-4-yl)-2-oxo-ethyl]-4-(trifluoromethyl)benzamide N-[2-(3,3-dimethylmorpholin-4-yl…

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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	5.09	-8.16	1	5	0	59	344.333	4	↓ MOL2 SDF SMILES Flexibase

69949123

Analogs

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Popular Name: N-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxo-ethyl]-4-(trifluoromethyl)benzamide N-[2-[(2R)-2-ethylmorpholin-4-yl…

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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)	2.09	5.36	-8.78	1	5	0	59	344.333	5	↓ MOL2 SDF SMILES Flexibase

69949126

Analogs

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Popular Name: N-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxo-ethyl]-4-(trifluoromethyl)benzamide N-[2-[(2S)-2-ethylmorpholin-4-yl…

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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)	2.09	5.36	-8.78	1	5	0	59	344.333	5	↓ MOL2 SDF SMILES Flexibase

41248109

Analogs

42629266

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Popular Name: 2-methyl-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 2-methyl-N-[(1S)-1-methyl-2-morp…

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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)	1.06	4.11	-8.75	1	5	0	59	276.336	3	↓ MOL2 SDF SMILES Flexibase

41248111

Analogs

42629278

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Popular Name: 3-methyl-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 3-methyl-N-[(1S)-1-methyl-2-morp…

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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)	1.08	4.08	-9.43	1	5	0	59	276.336	3	↓ MOL2 SDF SMILES Flexibase

41248113

Analogs

49465239
6442527

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 4-methyl-N-[(1S)-1-methyl-2-morp…

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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)	1.11	4.09	-9.24	1	5	0	59	276.336	3	↓ MOL2 SDF SMILES Flexibase

41248115

Analogs

49465218

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 2-fluoro-N-[(1S)-1-methyl-2-morp…

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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)	0.77	3.48	-12.17	1	5	0	59	280.299	3	↓ MOL2 SDF SMILES Flexibase

41248117

Analogs

49465247

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]benzamide 3-fluoro-N-[(1S)-1-methyl-2-morp…

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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)	0.80	3.48	-10.06	1	5	0	59	280.299	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 51189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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