ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

12232893

Analogs

12232895
12232900
12232901
12232905
36662242

Draw Identity 99% 90% 80% 70%

Popular Name: (2-morpholino-2-oxo-ethyl)-phenyl-BLAHone (2-morpholino-2-oxo-ethyl)-pheny…

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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	-2.06	-13.04	0	8	0	82	397.46	3	↓ MOL2 SDF SMILES Flexibase

12232895

Analogs

12232900
12232901
12232905
36662242
12232893

Draw Identity 99% 90% 80% 70%

Popular Name: (2-morpholino-2-oxo-ethyl)-phenyl-BLAHone (2-morpholino-2-oxo-ethyl)-pheny…

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)	1.11	-2.04	-13.19	0	8	0	82	397.46	3	↓ MOL2 SDF SMILES Flexibase

12232900

Analogs

12232901
12232905
36662242
12232893
12232895

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-phenyl-BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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)	1.84	-1.23	-12.51	0	8	0	82	425.514	3	↓ MOL2 SDF SMILES Flexibase

12232901

Analogs

12232905
36662242
12232893
12232895
12232900

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-phenyl-BLAHone [2-[(2R,6S)-2,6-dimethylmorpholi…

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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)	1.84	9.69	-13.37	0	8	0	82	425.514	3	↓ MOL2 SDF SMILES Flexibase

12232905

Analogs

36662242
12232893
12232895
12232900

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-phenyl-BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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)	1.84	-1.22	-12.7	0	8	0	82	425.514	3	↓ MOL2 SDF SMILES Flexibase

12233284

Analogs

12233288
12233292
12233295
12233300
36662245

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-(2-morpholino-2-oxo-ethyl)BLAHone (4-fluorophenyl)-(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)	1.27	-1.3	-11.62	0	8	0	82	415.45	3	↓ MOL2 SDF SMILES Flexibase

12233288

Analogs

12233292
12233295
12233300
36662245
12233284

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-(2-morpholino-2-oxo-ethyl)BLAHone (4-fluorophenyl)-(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)	1.27	-1.32	-11.48	0	8	0	82	415.45	3	↓ MOL2 SDF SMILES Flexibase

12233292

Analogs

12233295
12233300
36662245
12233284
12233288

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(4-fluorophenyl)BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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	-0.49	-10.99	0	8	0	82	443.504	3	↓ MOL2 SDF SMILES Flexibase

12233295

Analogs

12233300
36662245
12233284
12233288
12233292

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(4-fluorophenyl)BLAHone [2-[(2R,6S)-2,6-dimethylmorpholi…

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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)	2.00	9.76	-11.91	0	8	0	82	443.504	3	↓ MOL2 SDF SMILES Flexibase

12233300

Analogs

36662245
12233284
12233288
12233292

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(4-fluorophenyl)BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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)	2.00	-0.5	-11.12	0	8	0	82	443.504	3	↓ MOL2 SDF SMILES Flexibase

14009746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-morpholino-2-oxo-ethyl)-(m-tolyl)BLAHone (2-morpholino-2-oxo-ethyl)-(m-to…

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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)	1.75	8.76	-13.17	0	8	0	82	411.487	3	↓ MOL2 SDF SMILES Flexibase

14009749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-morpholino-2-oxo-ethyl)-(m-tolyl)BLAHone (2-morpholino-2-oxo-ethyl)-(m-to…

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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)	1.75	8.74	-13.05	0	8	0	82	411.487	3	↓ MOL2 SDF SMILES Flexibase

14009752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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)	2.47	10.41	-12.58	0	8	0	82	439.541	3	↓ MOL2 SDF SMILES Flexibase

14009755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(2S,6R)-2,6-dimethylmorpholi…

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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)	2.47	10.25	-11.44	0	8	0	82	439.541	3	↓ MOL2 SDF SMILES Flexibase

14009758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	10.42	-12.64	0	8	0	82	439.541	3	↓ MOL2 SDF SMILES Flexibase

14009761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[(2S,6R)-2,6-dimethylmorpholi…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	10.37	-13.34	0	8	0	82	439.541	3	↓ MOL2 SDF SMILES Flexibase

14010782

Analogs

36669613
11613394
11613395

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl)-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]BLAHone (3-chlorophenyl)-[2-[(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)	2.70	10.27	-12.5	0	8	0	82	459.959	3	↓ MOL2 SDF SMILES Flexibase

14010785

Analogs

36669613
11613394
11613395

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl)-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]BLAHone (3-chlorophenyl)-[2-[(2R,6S)-2,6…

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)	2.70	10.2	-12.97	0	8	0	82	459.959	3	↓ MOL2 SDF SMILES Flexibase

14011632

Analogs

36669716

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-(2-morpholino-2-oxo-ethyl)BLAHone (4-chlorophenyl)-(2-morpholino-2…

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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)	1.79	8.61	-11.34	0	8	0	82	431.905	3	↓ MOL2 SDF SMILES Flexibase

14011634

Analogs

36669716

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-(2-morpholino-2-oxo-ethyl)BLAHone (4-chlorophenyl)-(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)	1.79	8.59	-11.24	0	8	0	82	431.905	3	↓ MOL2 SDF SMILES Flexibase

14011636

Analogs

36669716

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]BLAHone (4-chlorophenyl)-[2-[(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)	2.51	10.27	-10.83	0	8	0	82	459.959	3	↓ MOL2 SDF SMILES Flexibase

14011638

Analogs

36669716

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]BLAHone (4-chlorophenyl)-[2-[(2R,6S)-2,6…

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)	2.51	10.21	-11.65	0	8	0	82	459.959	3	↓ MOL2 SDF SMILES Flexibase

14012952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethylphenyl)-(2-morpholino-2-oxo-ethyl)BLAHone (3,4-dimethylphenyl)-(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)	2.15	9.29	-13.19	0	8	0	82	425.514	3	↓ MOL2 SDF SMILES Flexibase

14012954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethylphenyl)-(2-morpholino-2-oxo-ethyl)BLAHone (3,4-dimethylphenyl)-(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)	2.15	9.28	-13.07	0	8	0	82	425.514	3	↓ MOL2 SDF SMILES Flexibase

14012956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(3,4-dimethylphenyl)BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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)	2.87	10.96	-12.58	0	8	0	82	453.568	3	↓ MOL2 SDF SMILES Flexibase

14012958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(3,4-dimethylphenyl)BLAHone [2-[(2S,6R)-2,6-dimethylmorpholi…

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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)	2.87	10.8	-11.46	0	8	0	82	453.568	3	↓ MOL2 SDF SMILES Flexibase

14012959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(3,4-dimethylphenyl)BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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)	2.87	10.95	-12.67	0	8	0	82	453.568	3	↓ MOL2 SDF SMILES Flexibase

14012961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(3,4-dimethylphenyl)BLAHone [2-[(2S,6R)-2,6-dimethylmorpholi…

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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)	2.87	10.93	-13.33	0	8	0	82	453.568	3	↓ MOL2 SDF SMILES Flexibase

14013779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dimethylphenyl)-(2-morpholino-2-oxo-ethyl)BLAHone (2,4-dimethylphenyl)-(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)	2.15	9.98	-12.49	0	8	0	82	425.514	3	↓ MOL2 SDF SMILES Flexibase

14013782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dimethylphenyl)-(2-morpholino-2-oxo-ethyl)BLAHone (2,4-dimethylphenyl)-(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)	2.15	9.54	-12.7	0	8	0	82	425.514	3	↓ MOL2 SDF SMILES Flexibase

14013785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(2,4-dimethylphenyl)BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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)	2.87	11.26	-12.71	0	8	0	82	453.568	3	↓ MOL2 SDF SMILES Flexibase

14013788

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(2,4-dimethylphenyl)BLAHone [2-[(2S,6R)-2,6-dimethylmorpholi…

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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)	2.87	11.07	-11.23	0	8	0	82	453.568	3	↓ MOL2 SDF SMILES Flexibase

14013790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(2,4-dimethylphenyl)BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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)	2.87	11.63	-11.54	0	8	0	82	453.568	3	↓ MOL2 SDF SMILES Flexibase

14013792

Analogs

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Popular Name: [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(2,4-dimethylphenyl)BLAHone [2-[(2S,6R)-2,6-dimethylmorpholi…

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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)	2.87	11.17	-13.04	0	8	0	82	453.568	3	↓ MOL2 SDF SMILES Flexibase

14014739

Analogs

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Popular Name: (2-morpholino-2-oxo-ethyl)-(p-tolyl)BLAHone (2-morpholino-2-oxo-ethyl)-(p-to…

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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	8.77	-12.91	0	8	0	82	411.487	3	↓ MOL2 SDF SMILES Flexibase

14014741

Analogs

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Popular Name: (2-morpholino-2-oxo-ethyl)-(p-tolyl)BLAHone (2-morpholino-2-oxo-ethyl)-(p-to…

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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	8.75	-12.75	0	8	0	82	411.487	3	↓ MOL2 SDF SMILES Flexibase

14014743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(p-tolyl)BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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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)	2.29	10.42	-12.29	0	8	0	82	439.541	3	↓ MOL2 SDF SMILES Flexibase

14014745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(p-tolyl)BLAHone [2-[(2S,6R)-2,6-dimethylmorpholi…

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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)	2.29	10.26	-11.21	0	8	0	82	439.541	3	↓ MOL2 SDF SMILES Flexibase

14014748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(p-tolyl)BLAHone [2-[(2R,6R)-2,6-dimethylmorpholi…

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)	2.29	10.43	-12.42	0	8	0	82	439.541	3	↓ MOL2 SDF SMILES Flexibase

14014750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-(p-tolyl)BLAHone [2-[(2S,6R)-2,6-dimethylmorpholi…

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)	2.29	10.38	-13.04	0	8	0	82	439.541	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 97537
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 = 97537 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=97537&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "97537"        

    });
</script>

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