ZINC 12

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ZINC Item

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52944822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(3-chlorophenyl)-1-[(2S)-tetra…

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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)	2.31	7.74	-10.44	0	2	0	26	224.687	3	↓ MOL2 SDF SMILES Flexibase

52944823

Analogs

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Popular Name: 2-(3-chlorophenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(3-chlorophenyl)-1-[(2R)-tetra…

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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)	2.31	7.7	-11.07	0	2	0	26	224.687	3	↓ MOL2 SDF SMILES Flexibase

62610247

Analogs

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Popular Name: (2S)-2-(2-chloro-4-fluoro-phenyl)-3-oxo-3-[(2S)-tetrahydrofuran-2-yl]propanenitrile (2S)-2-(2-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	7.87	-8.58	0	3	0	50	267.687	3	↓ MOL2 SDF SMILES Flexibase

62610252

Analogs

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Popular Name: (2R)-2-(2-chloro-4-fluoro-phenyl)-3-oxo-3-[(2S)-tetrahydrofuran-2-yl]propanenitrile (2R)-2-(2-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	7.81	-7.84	0	3	0	50	267.687	3	↓ MOL2 SDF SMILES Flexibase

62610256

Analogs

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Popular Name: (2S)-2-(2-chloro-4-fluoro-phenyl)-3-oxo-3-[(2R)-tetrahydrofuran-2-yl]propanenitrile (2S)-2-(2-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	7.78	-7.73	0	3	0	50	267.687	3	↓ MOL2 SDF SMILES Flexibase

62610259

Analogs

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Popular Name: (2R)-2-(2-chloro-4-fluoro-phenyl)-3-oxo-3-[(2R)-tetrahydrofuran-2-yl]propanenitrile (2R)-2-(2-chloro-4-fluoro-phenyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	7.81	-8.83	0	3	0	50	267.687	3	↓ MOL2 SDF SMILES Flexibase

49350256

Analogs

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Popular Name: (2S)-2-(3,5-difluorophenyl)-3-oxo-3-[(2S)-tetrahydrofuran-2-yl]propanenitrile (2S)-2-(3,5-difluorophenyl)-3-ox…

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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)	1.96	7.52	-14.4	0	3	0	50	251.232	3	↓ MOL2 SDF SMILES Flexibase

49350259

Analogs

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Popular Name: (2R)-2-(3,5-difluorophenyl)-3-oxo-3-[(2S)-tetrahydrofuran-2-yl]propanenitrile (2R)-2-(3,5-difluorophenyl)-3-ox…

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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)	1.96	7.46	-13.41	0	3	0	50	251.232	3	↓ MOL2 SDF SMILES Flexibase

49350263

Analogs

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Popular Name: (2S)-2-(3,5-difluorophenyl)-3-oxo-3-[(2R)-tetrahydrofuran-2-yl]propanenitrile (2S)-2-(3,5-difluorophenyl)-3-ox…

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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)	1.96	7.43	-13.14	0	3	0	50	251.232	3	↓ MOL2 SDF SMILES Flexibase

49350266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(3,5-difluorophenyl)-3-oxo-3-[(2R)-tetrahydrofuran-2-yl]propanenitrile (2R)-2-(3,5-difluorophenyl)-3-ox…

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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)	1.96	7.46	-15.05	0	3	0	50	251.232	3	↓ MOL2 SDF SMILES Flexibase

38125490

Analogs

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Popular Name: 2-(2-chlorophenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(2-chlorophenyl)-1-[(2S)-tetra…

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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)	2.29	7.66	-10.25	0	2	0	26	224.687	3	↓ MOL2 SDF SMILES Flexibase

38125491

Analogs

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Popular Name: 2-(2-chlorophenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(2-chlorophenyl)-1-[(2R)-tetra…

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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)	2.29	7.61	-9.83	0	2	0	26	224.687	3	↓ MOL2 SDF SMILES Flexibase

38125681

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(3,4-dimethoxyphenyl)-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)	1.31	6.43	-14.78	0	4	0	45	250.294	5	↓ MOL2 SDF SMILES Flexibase

38125682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(3,4-dimethoxyphenyl)-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)	1.31	6.38	-15.11	0	4	0	45	250.294	5	↓ MOL2 SDF SMILES Flexibase

38125762

Analogs

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Popular Name: 2-(2-chloro-6-fluoro-phenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(2-chloro-6-fluoro-phenyl)-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)	2.41	7.68	-9.66	0	2	0	26	242.677	3	↓ MOL2 SDF SMILES Flexibase

38125763

Analogs

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Popular Name: 2-(2-chloro-6-fluoro-phenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(2-chloro-6-fluoro-phenyl)-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)	2.41	7.63	-9.74	0	2	0	26	242.677	3	↓ MOL2 SDF SMILES Flexibase

38125902

Analogs

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Popular Name: 2-(2-nitrophenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(2-nitrophenyl)-1-[(2S)-tetrah…

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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	7.67	-16.19	0	5	0	72	235.239	4	↓ MOL2 SDF SMILES Flexibase

38125903

Analogs

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Popular Name: 2-(2-nitrophenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(2-nitrophenyl)-1-[(2R)-tetrah…

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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	7.56	-14.58	0	5	0	72	235.239	4	↓ MOL2 SDF SMILES Flexibase

38125969

Analogs

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Popular Name: 2-(4-bromophenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(4-bromophenyl)-1-[(2S)-tetrah…

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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	7.86	-10.56	0	2	0	26	269.138	3	↓ MOL2 SDF SMILES Flexibase

38125970

Analogs

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Popular Name: 2-(4-bromophenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(4-bromophenyl)-1-[(2R)-tetrah…

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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	7.81	-10.9	0	2	0	26	269.138	3	↓ MOL2 SDF SMILES Flexibase

38126190

Analogs

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Popular Name: 2-(4-methoxyphenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(4-methoxyphenyl)-1-[(2S)-tetr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.72	6.53	-11.97	0	3	0	36	220.268	4	↓ MOL2 SDF SMILES Flexibase

38126191

Analogs

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Popular Name: 2-(4-methoxyphenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(4-methoxyphenyl)-1-[(2R)-tetr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.72	6.49	-12.29	0	3	0	36	220.268	4	↓ MOL2 SDF SMILES Flexibase

38126296

Analogs

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Popular Name: 2-(4-nitrophenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(4-nitrophenyl)-1-[(2S)-tetrah…

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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)	1.62	7.95	-15.22	0	5	0	72	235.239	4	↓ MOL2 SDF SMILES Flexibase

38126297

Analogs

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Popular Name: 2-(4-nitrophenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(4-nitrophenyl)-1-[(2R)-tetrah…

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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)	1.62	7.9	-15.55	0	5	0	72	235.239	4	↓ MOL2 SDF SMILES Flexibase

38126379

Analogs

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Popular Name: 2-(4-fluorophenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(4-fluorophenyl)-1-[(2S)-tetra…

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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)	1.82	7.3	-11.35	0	2	0	26	208.232	3	↓ MOL2 SDF SMILES Flexibase

38126380

Analogs

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Popular Name: 2-(4-fluorophenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(4-fluorophenyl)-1-[(2R)-tetra…

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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)	1.82	7.25	-11.65	0	2	0	26	208.232	3	↓ MOL2 SDF SMILES Flexibase

38126453

Analogs

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Popular Name: 2-(4-chlorophenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(4-chlorophenyl)-1-[(2S)-tetra…

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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)	2.34	7.75	-10.58	0	2	0	26	224.687	3	↓ MOL2 SDF SMILES Flexibase

38126454

Analogs

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Popular Name: 2-(4-chlorophenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(4-chlorophenyl)-1-[(2R)-tetra…

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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)	2.34	7.71	-10.9	0	2	0	26	224.687	3	↓ MOL2 SDF SMILES Flexibase

38126542

Analogs

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Popular Name: 2-(3-methoxyphenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(3-methoxyphenyl)-1-[(2S)-tetr…

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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)	1.69	6.53	-11.95	0	3	0	36	220.268	4	↓ MOL2 SDF SMILES Flexibase

38126543

Analogs

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Popular Name: 2-(3-methoxyphenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(3-methoxyphenyl)-1-[(2R)-tetr…

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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)	1.69	6.49	-12.56	0	3	0	36	220.268	4	↓ MOL2 SDF SMILES Flexibase

38126645

Analogs

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Popular Name: 2-(2-methoxyphenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(2-methoxyphenyl)-1-[(2S)-tetr…

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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	6.59	-11.46	0	3	0	36	220.268	4	↓ MOL2 SDF SMILES Flexibase

38126646

Analogs

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Popular Name: 2-(2-methoxyphenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(2-methoxyphenyl)-1-[(2R)-tetr…

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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	6.54	-11.25	0	3	0	36	220.268	4	↓ MOL2 SDF SMILES Flexibase

38126733

Analogs

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Popular Name: 2-(3-fluorophenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(3-fluorophenyl)-1-[(2S)-tetra…

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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)	1.80	7.3	-11.2	0	2	0	26	208.232	3	↓ MOL2 SDF SMILES Flexibase

38126734

Analogs

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Popular Name: 2-(3-fluorophenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(3-fluorophenyl)-1-[(2R)-tetra…

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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)	1.80	7.26	-11.94	0	2	0	26	208.232	3	↓ MOL2 SDF SMILES Flexibase

38126819

Analogs

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Popular Name: 2-(2-fluorophenyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(2-fluorophenyl)-1-[(2S)-tetra…

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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)	1.78	7.27	-11.6	0	2	0	26	208.232	3	↓ MOL2 SDF SMILES Flexibase

38126820

Analogs

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Popular Name: 2-(2-fluorophenyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(2-fluorophenyl)-1-[(2R)-tetra…

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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)	1.78	7.22	-11.03	0	2	0	26	208.232	3	↓ MOL2 SDF SMILES Flexibase

38126904

Analogs

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Popular Name: 2-(o-tolyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(o-tolyl)-1-[(2S)-tetrahydrofu…

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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)	2.06	7.75	-10.17	0	2	0	26	204.269	3	↓ MOL2 SDF SMILES Flexibase

38126905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(o-tolyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(o-tolyl)-1-[(2R)-tetrahydrofu…

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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)	2.06	7.71	-10.51	0	2	0	26	204.269	3	↓ MOL2 SDF SMILES Flexibase

38126985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(p-tolyl)-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-(p-tolyl)-1-[(2S)-tetrahydrofu…

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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)	2.11	7.91	-10.35	0	2	0	26	204.269	3	↓ MOL2 SDF SMILES Flexibase

38126986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(p-tolyl)-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-(p-tolyl)-1-[(2R)-tetrahydrofu…

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)	2.11	7.86	-10.63	0	2	0	26	204.269	3	↓ MOL2 SDF SMILES Flexibase

38127047

Analogs

38416471
38416472
53138966
53138969
53143503

Draw Identity 99% 90% 80% 70%

Popular Name: 2-phenyl-1-[(2S)-tetrahydrofuran-2-yl]ethanone 2-phenyl-1-[(2S)-tetrahydrofuran…

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)	1.66	7.23	-10.28	0	2	0	26	190.242	3	↓ MOL2 SDF SMILES Flexibase

38127048

Analogs

38416471
38416472
53138966
53138969
53143503

Draw Identity 99% 90% 80% 70%

Popular Name: 2-phenyl-1-[(2R)-tetrahydrofuran-2-yl]ethanone 2-phenyl-1-[(2R)-tetrahydrofuran…

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)	1.66	7.19	-10.5	0	2	0	26	190.242	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 37730
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 = 37730 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=37730&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": "37730"        

    });
</script>

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