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ZINC Item

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37227878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 4-ethyl-3-[(3-methyl-1,2,4-oxadi…

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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)	1.68	3.13	-58.66	0	7	-1	113	309.323	5	↓ MOL2 SDF SMILES Flexibase

37246481

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 2,4-dimethyl-5-[(3-methyl-1,2,4-…

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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)	1.25	3.18	-62.26	0	7	-1	113	309.323	4	↓ MOL2 SDF SMILES Flexibase

49338513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 3-[(3-isopropyl-1,2,4-oxadiazol-…

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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)	1.43	3	-56.8	0	7	-1	113	309.323	5	↓ MOL2 SDF SMILES Flexibase

49338516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 4-[(3-isopropyl-1,2,4-oxadiazol-…

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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)	1.45	3	-53.69	0	7	-1	113	309.323	5	↓ MOL2 SDF SMILES Flexibase

49339088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 3-[(3-propyl-1,2,4-oxadiazol-5-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)	1.45	3.32	-56.61	0	7	-1	113	309.323	6	↓ MOL2 SDF SMILES Flexibase

49339091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 4-[(3-propyl-1,2,4-oxadiazol-5-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)	1.47	3.33	-53.51	0	7	-1	113	309.323	6	↓ MOL2 SDF SMILES Flexibase

37309868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 3-[(3-ethyl-1,2,4-oxadiazol-5-yl…

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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)	0.94	2.55	-56.87	0	7	-1	113	295.296	5	↓ MOL2 SDF SMILES Flexibase

37309880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 3-[(3-methyl-1,2,4-oxadiazol-5-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)	0.37	1.93	-57.1	0	7	-1	113	281.269	4	↓ MOL2 SDF SMILES Flexibase

37309984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 4-[(3-ethyl-1,2,4-oxadiazol-5-yl…

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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)	0.97	2.56	-53.87	0	7	-1	113	295.296	5	↓ MOL2 SDF SMILES Flexibase

37309996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 4-[(3-methyl-1,2,4-oxadiazol-5-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)	0.39	1.94	-54.14	0	7	-1	113	281.269	4	↓ MOL2 SDF SMILES Flexibase

37310083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 5-bromo-2-fluoro-3-[(3-methyl-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)	1.32	2.54	-50.29	0	7	-1	113	378.155	4	↓ MOL2 SDF SMILES Flexibase

37310142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 2-bromo-5-[(3-methyl-1,2,4-oxadi…

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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)	0.79	2.42	-54.42	0	7	-1	113	360.165	4	↓ MOL2 SDF SMILES Flexibase

37310201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 5-chloro-2-fluoro-3-[(3-methyl-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)	1.19	2.43	-50.35	0	7	-1	113	333.704	4	↓ MOL2 SDF SMILES Flexibase

37310248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 4-methoxy-3-[(3-methyl-1,2,4-oxa…

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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)	0.82	1.74	-58.34	0	8	-1	122	311.295	5	↓ MOL2 SDF SMILES Flexibase

37310295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 3,4-dimethyl-5-[(3-methyl-1,2,4-…

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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)	1.59	3.07	-61.93	0	7	-1	113	309.323	4	↓ MOL2 SDF SMILES Flexibase

37310354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 2-methyl-5-[(3-methyl-1,2,4-oxad…

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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)	0.43	2.58	-59.14	0	7	-1	113	295.296	4	↓ MOL2 SDF SMILES Flexibase

37310413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dichloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 2,6-dichloro-3-[(3-methyl-1,2,4-…

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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)	1.71	2.61	-50.05	0	7	-1	113	350.159	4	↓ MOL2 SDF SMILES Flexibase

37310513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-4-methyl-benzoic 3-[(3-ethyl-1,2,4-oxadiazol-5-yl…

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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	3.18	-60.42	0	7	-1	113	309.323	5	↓ MOL2 SDF SMILES Flexibase

37310520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 4-methyl-3-[(3-methyl-1,2,4-oxad…

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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)	1.21	2.56	-60.61	0	7	-1	113	295.296	4	↓ MOL2 SDF SMILES Flexibase

37310638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 2-fluoro-5-[(3-methyl-1,2,4-oxad…

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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)	0.15	1.96	-58.91	0	7	-1	113	299.259	4	↓ MOL2 SDF SMILES Flexibase

37310704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-4-fluoro-benzoic 3-[(3-ethyl-1,2,4-oxadiazol-5-yl…

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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)	1.50	2.58	-52.23	0	7	-1	113	313.286	5	↓ MOL2 SDF SMILES Flexibase

37310711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 4-fluoro-3-[(3-methyl-1,2,4-oxad…

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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)	0.92	1.96	-52.41	0	7	-1	113	299.259	4	↓ MOL2 SDF SMILES Flexibase

37310769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 2,6-difluoro-3-[(3-methyl-1,2,4-…

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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)	0.68	1.95	-57.97	0	7	-1	113	317.249	4	↓ MOL2 SDF SMILES Flexibase

37310828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 4-chloro-3-[(3-methyl-1,2,4-oxad…

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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)	1.44	2.34	-51.32	0	7	-1	113	315.714	4	↓ MOL2 SDF SMILES Flexibase

37310899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 2-chloro-5-[(3-methyl-1,2,4-oxad…

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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)	0.66	2.32	-55.35	0	7	-1	113	315.714	4	↓ MOL2 SDF SMILES Flexibase

37310964

Analogs

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Popular Name: 4-bromo-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic 4-bromo-3-[(3-ethyl-1,2,4-oxadia…

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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)	2.14	3.07	-50.44	0	7	-1	113	374.192	5	↓ MOL2 SDF SMILES Flexibase

49415776

Analogs

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Popular Name: 5-[(2-methoxyphenyl)sulfonylmethyl]-3-methyl-1,2,4-oxadiazole 5-[(2-methoxyphenyl)sulfonylmeth…

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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)	0.93	1.18	-16.42	0	6	0	82	268.294	4	↓ MOL2 SDF SMILES Flexibase

49415778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-[(2-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole 3-isopropyl-5-[(2-methoxyphenyl)…

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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)	1.99	2.24	-16.03	0	6	0	82	296.348	5	↓ MOL2 SDF SMILES Flexibase

49415780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole 5-[(2-methoxyphenyl)sulfonylmeth…

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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	2.56	-15.86	0	6	0	82	296.348	6	↓ MOL2 SDF SMILES Flexibase

49415784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-(2-methoxyphenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole 5-[(1R)-1-(2-methoxyphenyl)sulfo…

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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)	1.29	1.78	-16.52	0	6	0	82	282.321	4	↓ MOL2 SDF SMILES Flexibase

49415786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-(2-methoxyphenyl)sulfonylethyl]-3-methyl-1,2,4-oxadiazole 5-[(1S)-1-(2-methoxyphenyl)sulfo…

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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)	1.29	1.78	-16.63	0	6	0	82	282.321	4	↓ MOL2 SDF SMILES Flexibase

49416026

Analogs

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Popular Name: 3-methyl-5-(m-tolylsulfonylmethyl)-1,2,4-oxadiazole 3-methyl-5-(m-tolylsulfonylmethy…

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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)	0.91	2.04	-15.4	0	5	0	73	252.295	3	↓ MOL2 SDF SMILES Flexibase

49416028

Analogs

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Popular Name: 3-isobutyl-5-(m-tolylsulfonylmethyl)-1,2,4-oxadiazole 3-isobutyl-5-(m-tolylsulfonylmet…

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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)	2.23	4.02	-14.54	0	5	0	73	294.376	5	↓ MOL2 SDF SMILES Flexibase

49416030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-(m-tolylsulfonylmethyl)-1,2,4-oxadiazole 3-isopropyl-5-(m-tolylsulfonylme…

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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	3.1	-14.93	0	5	0	73	280.349	4	↓ MOL2 SDF SMILES Flexibase

49416034

Analogs

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Popular Name: 3-methyl-5-[(1S)-1-(m-tolylsulfonyl)ethyl]-1,2,4-oxadiazole 3-methyl-5-[(1S)-1-(m-tolylsulfo…

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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	2.59	-14.75	0	5	0	73	266.322	3	↓ MOL2 SDF SMILES Flexibase

49416037

Analogs

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Popular Name: 3-methyl-5-[(1R)-1-(m-tolylsulfonyl)ethyl]-1,2,4-oxadiazole 3-methyl-5-[(1R)-1-(m-tolylsulfo…

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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	2.6	-14.69	0	5	0	73	266.322	3	↓ MOL2 SDF SMILES Flexibase

49416085

Analogs

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Popular Name: 3-isopropyl-5-[(1S)-1-(m-tolylsulfonyl)ethyl]-1,2,4-oxadiazole 3-isopropyl-5-[(1S)-1-(m-tolylsu…

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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)	2.33	3.65	-14.26	0	5	0	73	294.376	4	↓ MOL2 SDF SMILES Flexibase

49416087

Analogs

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Popular Name: 3-isopropyl-5-[(1R)-1-(m-tolylsulfonyl)ethyl]-1,2,4-oxadiazole 3-isopropyl-5-[(1R)-1-(m-tolylsu…

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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)	2.33	3.66	-14.28	0	5	0	73	294.376	4	↓ MOL2 SDF SMILES Flexibase

49416089

Analogs

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Popular Name: 5-[(1R)-1-(m-tolylsulfonyl)ethyl]-3-propyl-1,2,4-oxadiazole 5-[(1R)-1-(m-tolylsulfonyl)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)	2.35	3.98	-13.89	0	5	0	73	294.376	5	↓ MOL2 SDF SMILES Flexibase

49416091

Analogs

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Popular Name: 5-[(1S)-1-(m-tolylsulfonyl)ethyl]-3-propyl-1,2,4-oxadiazole 5-[(1S)-1-(m-tolylsulfonyl)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)	2.35	3.97	-14.14	0	5	0	73	294.376	5	↓ MOL2 SDF SMILES Flexibase

67737217

Analogs

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Popular Name: 3-tert-butyl-5-[(1S)-1-(2-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(1S)-1-(2-methox…

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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)	3.02	3.4	-16.32	0	6	0	82	324.402	5	↓ MOL2 SDF SMILES Flexibase

67737220

Analogs

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Popular Name: 3-tert-butyl-5-[(1R)-1-(2-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(1R)-1-(2-methox…

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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)	3.02	3.4	-16.23	0	6	0	82	324.402	5	↓ MOL2 SDF SMILES Flexibase

42149232

Analogs

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Popular Name: 5-[(4-chlorophenyl)sulfonylmethyl]-3-methyl-1,2,4-oxadiazole 5-[(4-chlorophenyl)sulfonylmethy…

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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)	1.16	1.89	-15.05	0	5	0	73	272.713	3	↓ MOL2 SDF SMILES Flexibase

42149340

Analogs

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Popular Name: 5-(benzenesulfonylmethyl)-3-methyl-1,2,4-oxadiazole 5-(benzenesulfonylmethyl)-3-meth…

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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)	0.48	1.37	-15.6	0	5	0	73	238.268	3	↓ MOL2 SDF SMILES Flexibase

42149447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-(p-tolylsulfonylmethyl)-1,2,4-oxadiazole 3-methyl-5-(p-tolylsulfonylmethy…

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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)	0.93	2.05	-15.42	0	5	0	73	252.295	3	↓ 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 = 296488 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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