ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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ZINC Item

Suppliers, Protomers, & Similar Substances

60500564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propyl propyl

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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)	2.81	7.55	-13.19	1	5	0	65	291.347	7	↓ MOL2 SDF SMILES Flexibase

66428574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-chloro-phenyl)-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-(5-bromo-2-chloro-phenyl)-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)	3.18	6.38	-9.38	1	3	0	38	318.598	3	↓ MOL2 SDF SMILES Flexibase

66428576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-chloro-phenyl)-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-(5-bromo-2-chloro-phenyl)-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)	3.18	6.25	-9.47	1	3	0	38	318.598	3	↓ MOL2 SDF SMILES Flexibase

65541721

Analogs

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Popular Name: N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[2-(dimethylamino)-5-(trifluor…

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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)	2.69	7.38	-11.6	1	4	0	42	316.323	5	↓ MOL2 SDF SMILES Flexibase

56151673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-propyl-4-[[2-[(2S)-tetrahydrofuran-2-yl]acetyl]amino]benzamide 2-chloro-N-propyl-4-[[2-[(2S)-te…

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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)	2.44	5.56	-20.91	2	5	0	67	324.808	6	↓ MOL2 SDF SMILES Flexibase

56151674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-propyl-4-[[2-[(2R)-tetrahydrofuran-2-yl]acetyl]amino]benzamide 2-chloro-N-propyl-4-[[2-[(2R)-te…

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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)	2.44	5.43	-20.5	2	5	0	67	324.808	6	↓ MOL2 SDF SMILES Flexibase

48791655

Analogs

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Popular Name: N-(4-chloro-3-fluoro-phenyl)-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-(4-chloro-3-fluoro-phenyl)-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)	2.53	5.71	-10.39	1	3	0	38	257.692	3	↓ MOL2 SDF SMILES Flexibase

48791657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-fluoro-phenyl)-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-(4-chloro-3-fluoro-phenyl)-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)	2.53	5.6	-10.33	1	3	0	38	257.692	3	↓ MOL2 SDF SMILES Flexibase

48791759

Analogs

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Popular Name: N-[3-(cyanomethoxy)phenyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[3-(cyanomethoxy)phenyl]-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)	1.58	5.15	-16.3	1	5	0	71	260.293	5	↓ MOL2 SDF SMILES Flexibase

48791761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyanomethoxy)phenyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[3-(cyanomethoxy)phenyl]-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)	1.58	5.04	-16.29	1	5	0	71	260.293	5	↓ MOL2 SDF SMILES Flexibase

48792700

Analogs

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

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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)	2.44	7.21	-9.51	1	4	0	42	282.771	4	↓ MOL2 SDF SMILES Flexibase

48792702

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.44	7.08	-9.42	1	4	0	42	282.771	4	↓ MOL2 SDF SMILES Flexibase

48943521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-(2-bromo-4,5-dimethoxy-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)	2.15	5.09	-11.45	1	5	0	57	344.205	5	↓ MOL2 SDF SMILES Flexibase

48943523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-(2-bromo-4,5-dimethoxy-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)	2.15	4.96	-11.24	1	5	0	57	344.205	5	↓ MOL2 SDF SMILES Flexibase

48976412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyano-2-ethoxy-phenyl)-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-(5-cyano-2-ethoxy-phenyl)-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)	1.88	5.9	-13.97	1	5	0	71	274.32	5	↓ MOL2 SDF SMILES Flexibase

48976415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyano-2-ethoxy-phenyl)-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-(5-cyano-2-ethoxy-phenyl)-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)	1.88	5.77	-14.23	1	5	0	71	274.32	5	↓ MOL2 SDF SMILES Flexibase

48976491

Analogs

34553307

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methoxyethoxy)phenyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[2-(2-methoxyethoxy)phenyl]-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)	1.66	4.77	-12.92	1	5	0	57	279.336	7	↓ MOL2 SDF SMILES Flexibase

48976494

Analogs

34553307

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methoxyethoxy)phenyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[2-(2-methoxyethoxy)phenyl]-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)	1.66	4.64	-12.67	1	5	0	57	279.336	7	↓ MOL2 SDF SMILES Flexibase

49315836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(methylsulfamoyl)phenyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[3-(methylsulfamoyl)phenyl]-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)	0.81	1.32	-15.66	2	6	0	85	298.364	5	↓ MOL2 SDF SMILES Flexibase

49315838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(methylsulfamoyl)phenyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[3-(methylsulfamoyl)phenyl]-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)	0.81	1.21	-15.76	2	6	0	85	298.364	5	↓ MOL2 SDF SMILES Flexibase

49378474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-tetrahydrofuran-2-yl]-N-[4-(ureidomethyl)phenyl]acetamide 2-[(2S)-tetrahydrofuran-2-yl]-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)	0.60	1.37	-17.39	4	6	0	93	277.324	5	↓ MOL2 SDF SMILES Flexibase

49378477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-tetrahydrofuran-2-yl]-N-[4-(ureidomethyl)phenyl]acetamide 2-[(2R)-tetrahydrofuran-2-yl]-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)	0.60	1.25	-17.52	4	6	0	93	277.324	5	↓ MOL2 SDF SMILES Flexibase

49419445

Analogs

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Popular Name: N-[4-[acetyl(methyl)amino]phenyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[4-[acetyl(methyl)amino]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)	1.22	5.82	-18.36	1	5	0	59	276.336	4	↓ MOL2 SDF SMILES Flexibase

49419447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[acetyl(methyl)amino]phenyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[4-[acetyl(methyl)amino]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)	1.22	5.69	-18.02	1	5	0	59	276.336	4	↓ MOL2 SDF SMILES Flexibase

49520198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[2-[(2S)-tetrahydrofuran-2-yl]acetyl]amino]benzamide 4-methyl-3-[[2-[(2S)-tetrahydrof…

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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)	0.96	2.81	-22.97	3	5	0	81	262.309	4	↓ MOL2 SDF SMILES Flexibase

49520199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[[2-[(2R)-tetrahydrofuran-2-yl]acetyl]amino]benzamide 4-methyl-3-[[2-[(2R)-tetrahydrof…

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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)	0.96	2.68	-22.22	3	5	0	81	262.309	4	↓ MOL2 SDF SMILES Flexibase

49524541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyano-2-methyl-phenyl)-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-(5-cyano-2-methyl-phenyl)-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)	1.89	6.43	-15.8	1	4	0	62	244.294	3	↓ MOL2 SDF SMILES Flexibase

49524542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyano-2-methyl-phenyl)-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-(5-cyano-2-methyl-phenyl)-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)	1.89	6.29	-15.43	1	4	0	62	244.294	3	↓ MOL2 SDF SMILES Flexibase

49524767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(methylsulfonylmethyl)phenyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[4-(methylsulfonylmethyl)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)	1.13	3.37	-24.14	1	5	0	72	297.376	5	↓ MOL2 SDF SMILES Flexibase

49524768

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(methylsulfonylmethyl)phenyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[4-(methylsulfonylmethyl)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)	1.13	3.26	-24.16	1	5	0	72	297.376	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 48844
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 = 48844 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=48844&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": "48844"        

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</script>

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