ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36107432

Analogs

37008643
37008644
37008645
37008646
37803459

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone 1-[(2S)-2-(morpholine-4-carbonyl…

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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)	-0.71	2.63	-17.13	0	5	0	50	226.276	1	↓ MOL2 SDF SMILES Flexibase

36107433

Analogs

37008643
37008644
37008645
37008646
37803459

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one 1-[(2S)-2-(morpholine-4-carbonyl…

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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)	0.13	4.34	-17.74	0	5	0	50	240.303	2	↓ MOL2 SDF SMILES Flexibase

36107434

Analogs

37008643
37008644
37008645
37008646
37803459

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one 1-[(2S)-2-(morpholine-4-carbonyl…

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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)	0.69	5.1	-17.61	0	5	0	50	254.33	3	↓ MOL2 SDF SMILES Flexibase

36107435

Analogs

37803462
37803463
37803530
37803531
37803532

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one 2-methyl-1-[(2S)-2-(morpholine-4…

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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)	0.37	4.92	-17.81	0	5	0	50	254.33	2	↓ MOL2 SDF SMILES Flexibase

36107442

Analogs

37803462
37803463
37803478
37803479
37803530

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one 2,2-dimethyl-1-[(2S)-2-(morpholi…

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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)	0.95	5.11	-18.29	0	5	0	50	268.357	2	↓ MOL2 SDF SMILES Flexibase

36107506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl 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)	0.38	3.44	-16.72	0	6	0	59	256.302	3	↓ MOL2 SDF SMILES Flexibase

36107521

Analogs

36793445
36793446

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-methylsulfonylpyrrolidin-2-yl]-morpholino-methanone [(2S)-1-methylsulfonylpyrrolidin…

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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)	-0.70	0.89	-22.77	0	6	0	67	262.331	2	↓ MOL2 SDF SMILES Flexibase

36107522

Analogs

37835904
37835905
37842519
37842520

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-ethylsulfonylpyrrolidin-2-yl]-morpholino-methanone [(2S)-1-ethylsulfonylpyrrolidin-…

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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)	-0.32	1.77	-22.67	0	6	0	67	276.358	3	↓ MOL2 SDF SMILES Flexibase

36107523

Analogs

36793406
36793407
37835902
37835903
37842519

Draw Identity 99% 90% 80% 70%

Popular Name: morpholino-[(2S)-1-propylsulfonylpyrrolidin-2-yl]methanone morpholino-[(2S)-1-propylsulfony…

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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)	0.18	2.56	-22.46	0	6	0	67	290.385	4	↓ MOL2 SDF SMILES Flexibase

36135158

Analogs

37815435
37815436
37815437
37815438
42465962

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2R,5R)-5-ethyl-2-methyl-morpho…

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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)	0.00	0.54	-43.13	3	5	1	66	243.327	2	↓ MOL2 SDF SMILES Flexibase

36135160

Analogs

37815435
37815436
37815437
37815438
42466105

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2R,5S)-5-ethyl-2-methyl-morpho…

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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)	0.00	0.01	-43.05	3	5	1	66	243.327	2	↓ MOL2 SDF SMILES Flexibase

36135161

Analogs

37815435
37815436
37815437
37815438
42466105

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2S,5R)-5-ethyl-2-methyl-morpho…

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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)	0.00	-0.04	-42.71	3	5	1	66	243.327	2	↓ MOL2 SDF SMILES Flexibase

36135163

Analogs

37815435
37815436
37815437
37815438
42466105

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone [(2S,5S)-5-ethyl-2-methyl-morpho…

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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)	0.00	0.49	-42.86	3	5	1	66	243.327	2	↓ MOL2 SDF SMILES Flexibase

36641004

Analogs

44893918
44893921
44893924
44893927
32648517

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanone [(2S,6S)-2,6-dimethylmorpholin-4…

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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)	0.03	1.86	-11.57	0	6	0	67	290.385	2	↓ MOL2 SDF SMILES Flexibase

54714322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-chloro-2-methyl-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (2R)-3-chloro-2-methyl-1-[(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)	0.60	5.11	-15.48	0	5	0	50	288.775	3	↓ MOL2 SDF SMILES Flexibase

54714323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-chloro-2-methyl-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (2S)-3-chloro-2-methyl-1-[(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)	0.60	4.88	-15.09	0	5	0	50	288.775	3	↓ MOL2 SDF SMILES Flexibase

54714324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-chloro-2-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (2R)-3-chloro-2-methyl-1-[(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)	0.60	5.23	-15.89	0	5	0	50	288.775	3	↓ MOL2 SDF SMILES Flexibase

54714325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-chloro-2-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (2S)-3-chloro-2-methyl-1-[(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)	0.60	5.5	-15.79	0	5	0	50	288.775	3	↓ MOL2 SDF SMILES Flexibase

61294498

Analogs

43604931
43604933

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(ethylamino)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one 3-(ethylamino)-1-[(2R)-2-(morpho…

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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)	-0.67	4.28	-48.13	2	6	1	66	284.38	5	↓ MOL2 SDF SMILES Flexibase

61294501

Analogs

43604931
43604933

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(ethylamino)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one 3-(ethylamino)-1-[(2S)-2-(morpho…

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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)	-0.67	4.4	-48.39	2	6	1	66	284.38	5	↓ MOL2 SDF SMILES Flexibase

61294502

Analogs

40923263
40923266

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-2-methyl-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one 2-(ethylamino)-2-methyl-1-[(2R)-…

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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)	0.22	4.13	-43.81	2	6	1	66	298.407	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.22	3.69	-14.69	1	6	0	62	297.399	4	↓ MOL2 SDF SMILES Flexibase

61294505

Analogs

40923263
40923266

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-2-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one 2-(ethylamino)-2-methyl-1-[(2S)-…

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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)	0.22	4.77	-49.76	2	6	1	66	298.407	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.22	4.29	-15.89	1	6	0	62	297.399	4	↓ MOL2 SDF SMILES Flexibase

61317029

Analogs

40923263
40923266

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-2-(methylamino)-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one 2-methyl-2-(methylamino)-1-[(2R)…

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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)	-0.16	3.32	-45.79	2	6	1	66	284.38	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.16	3.2	-15.69	1	6	0	62	283.372	3	↓ MOL2 SDF SMILES Flexibase

61317031

Analogs

40923263
40923266

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-2-(methylamino)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one 2-methyl-2-(methylamino)-1-[(2S)…

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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)	-0.16	3.95	-52.38	2	6	1	66	284.38	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.16	3.75	-15.58	1	6	0	62	283.372	3	↓ MOL2 SDF SMILES Flexibase

61490267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-bromo-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one (2S)-2-bromo-1-[(2R)-2-(morpholi…

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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)	0.85	5.45	-17	0	5	0	50	333.226	3	↓ MOL2 SDF SMILES Flexibase

61490268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-bromo-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one (2R)-2-bromo-1-[(2R)-2-(morpholi…

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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)	0.85	5.44	-15.57	0	5	0	50	333.226	3	↓ MOL2 SDF SMILES Flexibase

61490269

Analogs

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Popular Name: (2S)-2-bromo-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one (2S)-2-bromo-1-[(2S)-2-(morpholi…

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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)	0.85	5.59	-16	0	5	0	50	333.226	3	↓ MOL2 SDF SMILES Flexibase

61490270

Analogs

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Popular Name: (2R)-2-bromo-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one (2R)-2-bromo-1-[(2S)-2-(morpholi…

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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)	0.85	5.57	-17.33	0	5	0	50	333.226	3	↓ MOL2 SDF SMILES Flexibase

70087505

Analogs

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Popular Name: 4-amino-4-methyl-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one 4-amino-4-methyl-1-[(2R)-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)	0.01	3.53	-53.18	3	6	1	77	298.407	4	↓ MOL2 SDF SMILES Flexibase

70087506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-4-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one 4-amino-4-methyl-1-[(2S)-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)	0.01	3.66	-56.76	3	6	1	77	298.407	4	↓ MOL2 SDF SMILES Flexibase

41073318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-2-oxo-ethoxy]acetic 2-[2-[(2R)-2-(morpholine-4-carbo…

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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	4.75	-69.96	0	8	-1	99	299.303	5	↓ MOL2 SDF SMILES Flexibase

41073319

Analogs

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Popular Name: 2-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-2-oxo-ethoxy]acetic 2-[2-[(2S)-2-(morpholine-4-carbo…

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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	4.95	-70.51	0	8	-1	99	299.303	5	↓ MOL2 SDF SMILES Flexibase

41229873

Analogs

41229875

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Popular Name: 2,2,2-trifluoro-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone 2,2,2-trifluoro-1-[(2R)-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)	0.18	3	-14.62	0	5	0	50	280.246	2	↓ MOL2 SDF SMILES Flexibase

41229875

Analogs

41229873

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone 2,2,2-trifluoro-1-[(2S)-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)	0.18	4.11	-16.1	0	5	0	50	280.246	2	↓ MOL2 SDF SMILES Flexibase

70202443

Analogs

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Popular Name: 5-amino-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one 5-amino-1-[(2R)-2-(morpholine-4-…

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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)	-0.90	3.14	-55.33	3	6	1	77	284.38	5	↓ MOL2 SDF SMILES Flexibase

70202444

Analogs

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Popular Name: 5-amino-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one 5-amino-1-[(2S)-2-(morpholine-4-…

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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)	-0.90	3.54	-55.57	3	6	1	77	284.38	5	↓ MOL2 SDF SMILES Flexibase

70316466

Analogs

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Popular Name: (4S)-4-amino-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one (4S)-4-amino-1-[(2R)-2-(morpholi…

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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)	-1.00	3.07	-55.07	3	6	1	77	284.38	4	↓ MOL2 SDF SMILES Flexibase

70316467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one (4R)-4-amino-1-[(2R)-2-(morpholi…

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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)	-1.00	3.07	-58.07	3	6	1	77	284.38	4	↓ MOL2 SDF SMILES Flexibase

70316468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one (4S)-4-amino-1-[(2S)-2-(morpholi…

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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)	-1.00	3.2	-58.27	3	6	1	77	284.38	4	↓ MOL2 SDF SMILES Flexibase

70316469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one (4R)-4-amino-1-[(2S)-2-(morpholi…

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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)	-1.00	3.2	-55.66	3	6	1	77	284.38	4	↓ MOL2 SDF SMILES Flexibase

41679747

Analogs

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Popular Name: [(2S)-pyrrolidin-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone [(2S)-pyrrolidin-2-yl]-[(6R)-2,2…

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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	3.63	-38.77	2	4	1	46	227.328	1	↓ MOL2 SDF SMILES Flexibase

41679748

Analogs

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Popular Name: [(2S)-pyrrolidin-2-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone [(2S)-pyrrolidin-2-yl]-[(6S)-2,2…

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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	3.73	-39.58	2	4	1	46	227.328	1	↓ MOL2 SDF SMILES Flexibase

41679749

Analogs

4298631

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Popular Name: [(2R)-pyrrolidin-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone [(2R)-pyrrolidin-2-yl]-[(6R)-2,2…

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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	3.74	-39.38	2	4	1	46	227.328	1	↓ MOL2 SDF SMILES Flexibase

41679750

Analogs

4298631

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-pyrrolidin-2-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone [(2R)-pyrrolidin-2-yl]-[(6S)-2,2…

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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	3.65	-38.59	2	4	1	46	227.328	1	↓ MOL2 SDF SMILES Flexibase

41679831

Analogs

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Popular Name: [(2S,4S)-4-methoxypyrrolidin-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone [(2S,4S)-4-methoxypyrrolidin-2-y…

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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)	0.56	2.71	-42.59	2	5	1	55	257.354	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.56	1.5	-11.38	1	5	0	51	256.346	2	↓ MOL2 SDF SMILES Flexibase

41679832

Analogs

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Popular Name: [(2S,4S)-4-methoxypyrrolidin-2-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone [(2S,4S)-4-methoxypyrrolidin-2-y…

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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)	0.56	2.66	-42.11	2	5	1	55	257.354	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.56	1.47	-11.29	1	5	0	51	256.346	2	↓ MOL2 SDF SMILES Flexibase

41679833

Analogs

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Popular Name: [(2R,4S)-4-methoxypyrrolidin-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone [(2R,4S)-4-methoxypyrrolidin-2-y…

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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)	0.56	2.67	-39	2	5	1	55	257.354	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.56	1.28	-6.28	1	5	0	51	256.346	2	↓ MOL2 SDF SMILES Flexibase

41679834

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,4S)-4-methoxypyrrolidin-2-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone [(2R,4S)-4-methoxypyrrolidin-2-y…

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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)	0.56	2.71	-39.35	2	5	1	55	257.354	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.56	1.32	-6.28	1	5	0	51	256.346	2	↓ MOL2 SDF SMILES Flexibase

41679853

Analogs

20433826

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone [(2S,4S)-4-hydroxypyrrolidin-2-y…

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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)	-0.06	0.34	-43.82	3	5	1	66	243.327	1	↓ MOL2 SDF SMILES Flexibase

41679854

Analogs

20433826

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone [(2S,4S)-4-hydroxypyrrolidin-2-y…

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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)	-0.06	0.29	-43.27	3	5	1	66	243.327	1	↓ 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 = 47626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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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