ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

44824405

Analogs

34584292
34584293

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-benzyl-3-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-3-oxo-propanenitrile (2S)-2-benzyl-3-[(2R,5R)-5-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)	2.70	8.12	-8.2	0	4	0	53	286.375	4	↓ MOL2 SDF SMILES Flexibase

44824406

Analogs

34584292
34584293

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-benzyl-3-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-3-oxo-propanenitrile (2S)-2-benzyl-3-[(2R,5S)-5-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)	2.70	7.59	-7.59	0	4	0	53	286.375	4	↓ MOL2 SDF SMILES Flexibase

44824407

Analogs

34584292
34584293

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-benzyl-3-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-3-oxo-propanenitrile (2S)-2-benzyl-3-[(2S,5R)-5-ethyl…

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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)	2.70	7.56	-7.33	0	4	0	53	286.375	4	↓ MOL2 SDF SMILES Flexibase

44824408

Analogs

34584292
34584293

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-benzyl-3-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-3-oxo-propanenitrile (2S)-2-benzyl-3-[(2S,5S)-5-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)	2.70	8.11	-7.58	0	4	0	53	286.375	4	↓ MOL2 SDF SMILES Flexibase

44824453

Analogs

34584292
34584293

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-benzyl-3-(3,3-dimethylmorpholin-4-yl)-3-oxo-propanenitrile (2S)-2-benzyl-3-(3,3-dimethylmor…

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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	6.89	-7.98	0	4	0	53	272.348	3	↓ MOL2 SDF SMILES Flexibase

44824454

Analogs

34584292
34584293

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-(3,3-dimethylmorpholin-4-yl)-3-oxo-propanenitrile (2R)-2-benzyl-3-(3,3-dimethylmor…

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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	6.94	-7.72	0	4	0	53	272.348	3	↓ MOL2 SDF SMILES Flexibase

44828513

Analogs

44832537
44832539

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-morpholino-3-oxo-propanethioamide (2R)-2-benzyl-3-morpholino-3-oxo…

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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	4.56	-7.33	2	4	0	56	278.377	4	↓ MOL2 SDF SMILES Flexibase

44828514

Analogs

44832537
44832539

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-benzyl-3-morpholino-3-oxo-propanethioamide (2S)-2-benzyl-3-morpholino-3-oxo…

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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	4.3	-7.32	2	4	0	56	278.377	4	↓ MOL2 SDF SMILES Flexibase

44828856

Analogs

44832537
44832539

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxo-propanethioamide (2R)-2-benzyl-3-[(2S,6R)-2,6-dim…

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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)	1.33	6.09	-6.87	2	4	0	56	306.431	4	↓ MOL2 SDF SMILES Flexibase

44828857

Analogs

44832537
44832539

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-propanethioamide (2R)-2-benzyl-3-[(2S,6S)-2,6-dim…

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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)	1.33	6.26	-6.69	2	4	0	56	306.431	4	↓ MOL2 SDF SMILES Flexibase

44828859

Analogs

44832537
44832539

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxo-propanethioamide (2R)-2-benzyl-3-[(2R,6R)-2,6-dim…

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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)	1.33	6.1	-6.46	2	4	0	56	306.431	4	↓ MOL2 SDF SMILES Flexibase

44828954

Analogs

44832537
44832539

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-[(2R)-2-methylmorpholin-4-yl]-3-oxo-propanethioamide (2R)-2-benzyl-3-[(2R)-2-methylmo…

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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)	0.96	5.33	-7.11	2	4	0	56	292.404	4	↓ MOL2 SDF SMILES Flexibase

44828955

Analogs

44832537
44832539

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-benzyl-3-[(2S)-2-methylmorpholin-4-yl]-3-oxo-propanethioamide (2R)-2-benzyl-3-[(2S)-2-methylmo…

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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)	0.96	5.03	-7.19	2	4	0	56	292.404	4	↓ MOL2 SDF SMILES Flexibase

44828957

Analogs

44832537
44832539

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-benzyl-3-[(2R)-2-methylmorpholin-4-yl]-3-oxo-propanethioamide (2S)-2-benzyl-3-[(2R)-2-methylmo…

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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)	0.96	5.04	-7.19	2	4	0	56	292.404	4	↓ MOL2 SDF SMILES Flexibase

44828958

Analogs

44832537
44832539

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-benzyl-3-[(2S)-2-methylmorpholin-4-yl]-3-oxo-propanethioamide (2S)-2-benzyl-3-[(2S)-2-methylmo…

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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)	0.96	5.33	-7.45	2	4	0	56	292.404	4	↓ MOL2 SDF SMILES Flexibase

52945727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(p-tolyl)propan-1-one 1-[(2R)-2-(aminomethyl)morpholin…

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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)	1.07	4.7	-46.88	3	4	1	57	263.361	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.07	4.25	-8.41	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase

52945728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(aminomethyl)morpholin-4-yl]-3-(p-tolyl)propan-1-one 1-[(2S)-2-(aminomethyl)morpholin…

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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)	1.07	4.75	-46.76	3	4	1	57	263.361	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.07	4.37	-8.13	2	4	0	56	262.353	4	↓ MOL2 SDF SMILES Flexibase

19435318

Analogs

43705512
43705513
43705514
43705515

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-[(2R)-2-methylmorpholin-4-yl]-3-phenyl-propan-1-one (2S)-2-amino-1-[(2R)-2-methylmor…

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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)	0.54	3.69	-44.79	3	4	1	57	249.334	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.54	3.36	-8.73	2	4	0	56	248.326	3	↓ MOL2 SDF SMILES Flexibase

19435320

Analogs

43705512
43705513
43705514
43705515

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-1-[(2S)-2-methylmorpholin-4-yl]-3-phenyl-propan-1-one (2S)-2-amino-1-[(2S)-2-methylmor…

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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)	0.54	3.71	-45.03	3	4	1	57	249.334	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.54	3.38	-8.74	2	4	0	56	248.326	3	↓ MOL2 SDF SMILES Flexibase

19435322

Analogs

43705512
43705513
43705514
43705515

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2R)-2-methylmorpholin-4-yl]-3-phenyl-propan-1-one (2R)-2-amino-1-[(2R)-2-methylmor…

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)	0.54	3.7	-45.07	3	4	1	57	249.334	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.54	3.37	-8.14	2	4	0	56	248.326	3	↓ MOL2 SDF SMILES Flexibase

19435323

Analogs

43705512
43705513
43705514
43705515

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2S)-2-methylmorpholin-4-yl]-3-phenyl-propan-1-one (2R)-2-amino-1-[(2S)-2-methylmor…

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)	0.54	3.71	-44.81	3	4	1	57	249.334	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.54	3.38	-8.15	2	4	0	56	248.326	3	↓ MOL2 SDF SMILES Flexibase

36102005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,3-dimethylmorpholin-4-yl)-3-phenyl-propan-1-one 1-(3,3-dimethylmorpholin-4-yl)-3…

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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)	2.64	7.13	-6.85	0	3	0	30	247.338	3	↓ MOL2 SDF SMILES Flexibase

36102113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,3-dimethylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one 1-(3,3-dimethylmorpholin-4-yl)-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)	2.70	6.43	-8.19	0	4	0	39	277.364	4	↓ MOL2 SDF SMILES Flexibase

36135123

Analogs

43427484
43427485
43427486
43427487
43427554

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-3-phenyl-propan-1-one (2R)-2-amino-1-[(2R,5R)-5-ethyl-…

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)	1.41	5.47	-43.04	3	4	1	57	277.388	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.41	5.16	-6.68	2	4	0	56	276.38	4	↓ MOL2 SDF SMILES Flexibase

36135124

Analogs

43427484
43427485
43427486
43427487
43427554

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-3-phenyl-propan-1-one (2R)-2-amino-1-[(2R,5S)-5-ethyl-…

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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)	1.41	5	-43.21	3	4	1	57	277.388	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.41	4.69	-6.2	2	4	0	56	276.38	4	↓ MOL2 SDF SMILES Flexibase

36135126

Analogs

43427484
43427485
43427486
43427487
43427554

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-3-phenyl-propan-1-one (2R)-2-amino-1-[(2S,5R)-5-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)	1.41	5.01	-43.36	3	4	1	57	277.388	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.41	4.7	-6.2	2	4	0	56	276.38	4	↓ MOL2 SDF SMILES Flexibase

36135127

Analogs

43427484
43427485
43427486
43427487
43427554

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-1-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-3-phenyl-propan-1-one (2R)-2-amino-1-[(2S,5S)-5-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)	1.41	5.48	-43.21	3	4	1	57	277.388	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.41	5.17	-6.73	2	4	0	56	276.38	4	↓ MOL2 SDF SMILES Flexibase

36135135

Analogs

43427514
43427515
43427516
43427517

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-3-phenyl-propan-1-one (3S)-3-amino-1-[(2R,5R)-5-ethyl-…

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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)	0.12	5.79	-41.68	3	4	1	57	277.388	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.12	5.46	-6.6	2	4	0	56	276.38	4	↓ MOL2 SDF SMILES Flexibase

36135136

Analogs

43427514
43427515
43427516
43427517

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-3-phenyl-propan-1-one (3S)-3-amino-1-[(2R,5S)-5-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)	0.12	5.28	-42.21	3	4	1	57	277.388	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.12	4.95	-6.08	2	4	0	56	276.38	4	↓ MOL2 SDF SMILES Flexibase

36135138

Analogs

43427514
43427515
43427516
43427517

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Popular Name: (3S)-3-amino-1-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-3-phenyl-propan-1-one (3S)-3-amino-1-[(2S,5R)-5-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)	0.12	5.26	-41.81	3	4	1	57	277.388	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.12	4.93	-6.08	2	4	0	56	276.38	4	↓ MOL2 SDF SMILES Flexibase

36135140

Analogs

43427514
43427515
43427516
43427517

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-3-phenyl-propan-1-one (3S)-3-amino-1-[(2S,5S)-5-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)	0.12	5.79	-41.5	3	4	1	57	277.388	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.12	5.46	-6.51	2	4	0	56	276.38	4	↓ MOL2 SDF SMILES Flexibase

53626191

Analogs

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Popular Name: 3-(3-methoxyphenyl)-1-morpholino-propan-1-one 3-(3-methoxyphenyl)-1-morpholino…

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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	5.13	-9.34	0	4	0	39	249.31	4	↓ MOL2 SDF SMILES Flexibase

53663952

Analogs

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Popular Name: 1-morpholino-3-(m-tolyl)propan-1-one 1-morpholino-3-(m-tolyl)propan-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)	2.26	6.5	-7.97	0	3	0	30	233.311	3	↓ MOL2 SDF SMILES Flexibase

62509859

Analogs

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Popular Name: 3-(2-chlorophenyl)-1-[(3S,5R)-3,5-dimethylmorpholin-4-yl]propan-1-one 3-(2-chlorophenyl)-1-[(3S,5R)-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)	3.12	7.12	-7.24	0	3	0	30	281.783	3	↓ MOL2 SDF SMILES Flexibase

62509860

Analogs

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Popular Name: 3-(2-chlorophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]propan-1-one 3-(2-chlorophenyl)-1-[(3S,5S)-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)	3.12	7.6	-6.86	0	3	0	30	281.783	3	↓ MOL2 SDF SMILES Flexibase

62509861

Analogs

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Popular Name: 3-(2-chlorophenyl)-1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]propan-1-one 3-(2-chlorophenyl)-1-[(3R,5R)-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)	3.12	7.63	-7.13	0	3	0	30	281.783	3	↓ MOL2 SDF SMILES Flexibase

58304782

Analogs

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Popular Name: 1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one 1-[(2R,5R)-2,5-dimethylmorpholin…

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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)	3.10	7.95	-12.74	0	5	0	48	375.387	7	↓ MOL2 SDF SMILES Flexibase

58304783

Analogs

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Popular Name: 1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one 1-[(2S,5R)-2,5-dimethylmorpholin…

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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)	3.10	7.77	-12.11	0	5	0	48	375.387	7	↓ MOL2 SDF SMILES Flexibase

58304784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one 1-[(2R,5S)-2,5-dimethylmorpholin…

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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)	3.10	7.79	-11.98	0	5	0	48	375.387	7	↓ MOL2 SDF SMILES Flexibase

58304785

Analogs

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Popular Name: 1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one 1-[(2S,5S)-2,5-dimethylmorpholin…

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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)	3.10	7.95	-12.83	0	5	0	48	375.387	7	↓ MOL2 SDF SMILES Flexibase

58306220

Analogs

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Popular Name: 1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluoro-4-methoxy-phenyl)propan-1-one 1-(3,3-dimethylmorpholin-4-yl)-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)	2.79	6.5	-10.18	0	4	0	39	295.354	4	↓ MOL2 SDF SMILES Flexibase

58323456

Analogs

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Popular Name: 1-(3,3-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one 1-(3,3-dimethylmorpholin-4-yl)-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)	2.27	6.24	-12.03	0	6	0	57	337.416	6	↓ MOL2 SDF SMILES Flexibase

66643790

Analogs

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Popular Name: (2S)-4-[3-[2-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide (2S)-4-[3-[2-(trifluoromethoxy)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)	1.47	3.59	-14.75	2	6	0	82	346.305	6	↓ MOL2 SDF SMILES Flexibase

66643791

Analogs

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Popular Name: (2R)-4-[3-[2-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide (2R)-4-[3-[2-(trifluoromethoxy)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)	1.47	3.6	-14.07	2	6	0	82	346.305	6	↓ MOL2 SDF SMILES Flexibase

66643824

Analogs

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Popular Name: (2S)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide (2S)-4-[3-[4-(trifluoromethoxy)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)	1.52	3.53	-14.51	2	6	0	82	346.305	6	↓ MOL2 SDF SMILES Flexibase

66643825

Analogs

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Popular Name: (2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide (2R)-4-[3-[4-(trifluoromethoxy)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)	1.52	3.55	-14.68	2	6	0	82	346.305	6	↓ MOL2 SDF SMILES Flexibase

69526330

Analogs

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Popular Name: 4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-oxo-propyl]-N-methyl-benzenesulfonamide 4-[3-[(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)	1.63	3.51	-15.15	1	6	0	76	340.445	5	↓ MOL2 SDF SMILES Flexibase

69526331

Analogs

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Popular Name: 4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-propyl]-N-methyl-benzenesulfonamide 4-[3-[(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)	1.63	3.68	-14.85	1	6	0	76	340.445	5	↓ MOL2 SDF SMILES Flexibase

69526332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxo-propyl]-N-methyl-benzenesulfonamide 4-[3-[(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)	1.63	3.67	-15.22	1	6	0	76	340.445	5	↓ MOL2 SDF SMILES Flexibase

69565170

Analogs

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Popular Name: N-[(1S)-1-(2-ethoxyphenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxo-propyl]acetamide N-[(1S)-1-(2-ethoxyphenyl)-3-[(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)	0.86	5.97	-9.33	1	6	0	68	348.443	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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