ZINC 12

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)	1.34	2.2	-9.71	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.34	2.44	-53.93	4	4	1	66	249.334	4	↓ MOL2 SDF SMILES Flexibase

52882016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propanamide (2S)-2-amino-2-phenyl-N-[[(3S)-t…

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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)	1.34	2.14	-8.6	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.34	2.44	-54.62	4	4	1	66	249.334	4	↓ MOL2 SDF SMILES Flexibase

52882017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propanamide (2R)-2-amino-2-phenyl-N-[[(3R)-t…

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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)	1.34	2.2	-9.29	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.34	2.45	-54.39	4	4	1	66	249.334	4	↓ MOL2 SDF SMILES Flexibase

52882018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propanamide (2S)-2-amino-2-phenyl-N-[[(3R)-t…

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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)	1.34	2.14	-8.14	3	4	0	64	248.326	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.34	2.45	-53.68	4	4	1	66	249.334	4	↓ MOL2 SDF SMILES Flexibase

52882339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-ethyl-2-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propanamide (2R)-2-amino-N-ethyl-2-phenyl-N-…

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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)	1.97	5.14	-9.01	2	4	0	56	276.38	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.97	5.31	-47.4	3	4	1	57	277.388	5	↓ MOL2 SDF SMILES Flexibase

52882340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-ethyl-2-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propanamide (2R)-2-amino-N-ethyl-2-phenyl-N-…

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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)	1.97	5.08	-8	2	4	0	56	276.38	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.97	5.28	-41.46	3	4	0	57	277.388	5	↓ MOL2 SDF SMILES Flexibase

52882341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-ethyl-2-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propanamide (2S)-2-amino-N-ethyl-2-phenyl-N-…

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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)	1.97	5.62	-9.66	2	4	0	56	276.38	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.97	5.47	-50.4	3	4	1	57	277.388	5	↓ MOL2 SDF SMILES Flexibase

52882342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-ethyl-2-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propanamide (2S)-2-amino-N-ethyl-2-phenyl-N-…

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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)	1.97	5.55	-9.53	2	4	0	56	276.38	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.97	5.35	-51.74	3	4	1	57	277.388	5	↓ MOL2 SDF SMILES Flexibase

52922929

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-[[(3S)-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)	0.76	2.3	-11.27	3	4	0	64	234.299	4	↓ MOL2 SDF SMILES Flexibase

52922931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-[[(3R)-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)	0.76	2.32	-10.79	3	4	0	64	234.299	4	↓ MOL2 SDF SMILES Flexibase

52923264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-ethyl-N-[[(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)	1.38	5.23	-11.67	2	4	0	56	262.353	5	↓ MOL2 SDF SMILES Flexibase

52923265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-ethyl-N-[[(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)	1.38	5.18	-9.97	2	4	0	56	262.353	5	↓ MOL2 SDF SMILES Flexibase

65553242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-2-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]butanamide 2-(4-chlorophenyl)-2-ethyl-N-[[(…

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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)	4.01	6.67	-9.71	1	3	0	38	309.837	6	↓ MOL2 SDF SMILES Flexibase

65553244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-2-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]butanamide 2-(4-chlorophenyl)-2-ethyl-N-[[(…

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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)	4.01	6.67	-9.24	1	3	0	38	309.837	6	↓ MOL2 SDF SMILES Flexibase

48978671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromo-4-fluoro-phenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-bromo-4-fluoro-phenyl)-N-[[…

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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)	2.61	5.09	-12.15	1	3	0	38	316.17	4	↓ MOL2 SDF SMILES Flexibase

48978674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromo-4-fluoro-phenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-bromo-4-fluoro-phenyl)-N-[[…

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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)	2.61	5.1	-11.95	1	3	0	38	316.17	4	↓ MOL2 SDF SMILES Flexibase

48978677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-2-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propanamide 2-(4-chlorophenyl)-2-methyl-N-[[…

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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)	3.36	5.88	-9.85	1	3	0	38	281.783	4	↓ MOL2 SDF SMILES Flexibase

48978680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-2-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propanamide 2-(4-chlorophenyl)-2-methyl-N-[[…

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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)	3.36	5.88	-9.45	1	3	0	38	281.783	4	↓ MOL2 SDF SMILES Flexibase

49277401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenyl)-2,2-difluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-chlorophenyl)-2,2-difluoro-…

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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)	2.80	5.04	-7.55	1	3	0	38	289.709	4	↓ MOL2 SDF SMILES Flexibase

49277403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chlorophenyl)-2,2-difluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-chlorophenyl)-2,2-difluoro-…

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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)	2.80	5.04	-7.74	1	3	0	38	289.709	4	↓ MOL2 SDF SMILES Flexibase

37827202

Analogs

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Popular Name: 2-(4-aminophenyl)-N-ethyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide 2-(4-aminophenyl)-N-ethyl-N-[[(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)	1.41	5.25	-11.44	2	4	0	56	262.353	5	↓ MOL2 SDF SMILES Flexibase

37827203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)-N-ethyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide 2-(4-aminophenyl)-N-ethyl-N-[[(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)	1.41	5.19	-9.86	2	4	0	56	262.353	5	↓ MOL2 SDF SMILES Flexibase

37834770

Analogs

37266461
37266460
36227218
36227219
36227220

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-N-ethyl-2-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide (2R)-2-chloro-N-ethyl-2-phenyl-N…

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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)	2.71	7.77	-10.75	0	3	0	30	281.783	5	↓ MOL2 SDF SMILES Flexibase

37834771

Analogs

37266461
37266460
36227218
36227219
36227220

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-N-ethyl-2-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide (2R)-2-chloro-N-ethyl-2-phenyl-N…

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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)	2.71	7.73	-8.99	0	3	0	30	281.783	5	↓ MOL2 SDF SMILES Flexibase

37834772

Analogs

37266461
37266460
36227218
36227219
36227220

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-ethyl-2-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide (2S)-2-chloro-N-ethyl-2-phenyl-N…

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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)	2.71	7.71	-10.98	0	3	0	30	281.783	5	↓ MOL2 SDF SMILES Flexibase

37834773

Analogs

37266461
37266460
36227218
36227219
36227220

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-ethyl-2-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide (2S)-2-chloro-N-ethyl-2-phenyl-N…

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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)	2.71	7.68	-10.5	0	3	0	30	281.783	5	↓ MOL2 SDF SMILES Flexibase

41938101

Analogs

41938104

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-nitrophenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide 2-(4-nitrophenyl)-N-[[(3S)-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)	1.67	5.15	-15.36	1	6	0	84	264.281	5	↓ MOL2 SDF SMILES Flexibase

41938104

Analogs

41938101

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-nitrophenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide 2-(4-nitrophenyl)-N-[[(3R)-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)	1.67	5.16	-14.98	1	6	0	84	264.281	5	↓ MOL2 SDF SMILES Flexibase

41938701

Analogs

41938704

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-fluoro-4-methoxy-phenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-fluoro-4-methoxy-phenyl)-N-…

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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	3.81	-14.29	1	4	0	48	267.3	5	↓ MOL2 SDF SMILES Flexibase

41938704

Analogs

41938701

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-fluoro-4-methoxy-phenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]acetamide 2-(3-fluoro-4-methoxy-phenyl)-N-…

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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	3.81	-14.2	1	4	0	48	267.3	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 14983
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 = 14983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14983&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": "14983"        

    });
</script>

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