ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

678

Analogs

1567482

Draw Identity 99% 90% 80% 70%

Popular Name: AF-634 AF-634

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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)	3.44	8.53	-40.87	1	4	1	43	288.415	8	↓ MOL2 SDF SMILES Flexibase

5561411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(furan-2-ylmethyl)-2-(3-(m-tolyl)-1,2,4-oxadiazol-5-yl)benzamide N-(furan-2-ylmethyl)-2-(3-(m-tol…

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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)	3.95	8.56	-19.07	1	6	0	81	359.385	5	↓ MOL2 SDF SMILES Flexibase

5561436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-(3-(m-tolyl)-1,2,4-oxadiazol-5-yl)benzamide N,N-dimethyl-2-(3-(m-tolyl)-1,2,…

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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)	3.07	0.65	-16.62	0	5	0	59	307.353	3	↓ MOL2 SDF SMILES Flexibase

5561611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: morpholino(2-(3-(p-tolyl)-1,2,4-oxadiazol-5-yl)phenyl)methanone morpholino(2-(3-(p-tolyl)-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)	2.94	7.99	-18.66	0	6	0	68	349.39	3	↓ MOL2 SDF SMILES Flexibase

5561651

Analogs

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Popular Name: N-isopropyl-2-(3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)benzamide N-isopropyl-2-(3-(2-methoxypheny…

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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)	3.55	-0.72	-19.41	1	6	0	77	337.379	5	↓ MOL2 SDF SMILES Flexibase

5561670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-nitrophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide N-(3-nitrophenyl)-2-(3-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)	4.50	-0.05	-24.54	1	8	0	113	386.367	5	↓ MOL2 SDF SMILES Flexibase

5561677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-(4-(tert-butyl)phenyl)-1,2,4-oxadiazol-5-yl)-N-isobutylpropanamide 3-(3-(4-(tert-butyl)phenyl)-1,2,…

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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)	4.43	-0.21	-9.08	1	5	0	68	329.444	7	↓ MOL2 SDF SMILES Flexibase

5561722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl [3-(o-tolyl)-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)	4.85	10.25	-15.16	0	7	0	83	394.818	6	↓ MOL2 SDF SMILES Flexibase

5561724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-propanamide N-ethyl-3-[3-(3-methoxyphenyl)-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)	2.01	-1.92	-11.82	1	6	0	77	275.308	6	↓ MOL2 SDF SMILES Flexibase

5561903

Analogs

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Popular Name: 2-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)-N-methylbenzamide 2-(3-(4-methoxyphenyl)-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)	2.93	-1.54	-16.51	1	6	0	77	309.325	4	↓ MOL2 SDF SMILES Flexibase

5562007

Analogs

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Popular Name: 3-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)-N-(2-nitrophenyl)propanamide 3-(3-(4-chlorophenyl)-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)	3.89	-0.22	-11.41	1	8	0	113	372.768	6	↓ MOL2 SDF SMILES Flexibase

5562027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)benzamide N,N-dimethyl-2-(3-(o-tolyl)-1,2,…

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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)	3.05	0.68	-16.41	0	5	0	59	307.353	3	↓ MOL2 SDF SMILES Flexibase

5562060

Analogs

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Popular Name: (2-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)phenyl)(pyrrolidin-1-yl)methanone (2-(3-(4-methoxyphenyl)-1,2,4-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)	3.10	-0.58	-17.44	0	6	0	68	349.39	4	↓ MOL2 SDF SMILES Flexibase

5562074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-3-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)propanamide N-(4-chlorophenyl)-3-(3-(4-metho…

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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)	4.03	-1.1	-11.75	1	6	0	77	357.797	6	↓ MOL2 SDF SMILES Flexibase

5562097

Analogs

8060744
42701264

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(p-tolyl)propanamide 3-(3-phenyl-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)	3.75	-0.67	-11.47	1	5	0	68	307.353	5	↓ MOL2 SDF SMILES Flexibase

5562154

Analogs

9061649
9061659

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)-N-(3-nitrophenyl)propanamide 3-(3-(2-methoxyphenyl)-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)	3.24	-0.22	-16.14	1	9	0	123	368.349	7	↓ MOL2 SDF SMILES Flexibase

5562170

Analogs

4920697

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide N-(4-fluorophenyl)-3-(3-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)	3.46	-0.24	-12	1	5	0	68	311.316	5	↓ MOL2 SDF SMILES Flexibase

5562217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-yl-propan-1-one 3-[3-(2-chlorophenyl)-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)	2.88	-1.02	-11.26	0	5	0	59	305.765	4	↓ MOL2 SDF SMILES Flexibase

5562228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)benzamide N-cyclohexyl-2-(3-(o-tolyl)-1,2,…

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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)	5.18	-0.93	-17.67	1	5	0	68	361.445	4	↓ MOL2 SDF SMILES Flexibase

5562284

Analogs

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Popular Name: 3-(3-(4-(tert-butyl)phenyl)-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)propanamide 3-(3-(4-(tert-butyl)phenyl)-1,2,…

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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)	5.17	0.91	-11.21	1	5	0	68	367.424	6	↓ MOL2 SDF SMILES Flexibase

5562302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methylpiperidin-1-yl)(2-(3-(p-tolyl)-1,2,4-oxadiazol-5-yl)phenyl)methanone (4-methylpiperidin-1-yl)(2-(3-(p…

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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)	4.24	0.3	-16.94	0	5	0	59	361.445	3	↓ MOL2 SDF SMILES Flexibase

5562358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-(3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl)benzamide N-cyclohexyl-2-(3-(2-fluoropheny…

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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)	4.89	-0.64	-21.33	1	5	0	68	365.408	4	↓ MOL2 SDF SMILES Flexibase

5562362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)-propanamide 3-[3-(2-chlorophenyl)-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)	3.94	-0.85	-12.21	1	6	0	77	357.797	6	↓ MOL2 SDF SMILES Flexibase

5562374

Analogs

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Popular Name: N-(2-chlorophenyl)-3-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)propanamide N-(2-chlorophenyl)-3-(3-(4-metho…

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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)	3.99	-0.93	-10.21	1	6	0	77	357.797	6	↓ MOL2 SDF SMILES Flexibase

5562430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-3-[5-(o-tolyl)-1,2,4-oxadiazol-3-yl]-quinoline 2-methoxy-3-[5-(o-tolyl)-1,2,4-o…

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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)	4.46	-0.91	-10.73	0	5	0	61	317.348	3	↓ MOL2 SDF SMILES Flexibase

5562522

Analogs

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Popular Name: 3-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)-N-isobutylpropanamide 3-(3-(4-chlorophenyl)-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)	3.40	-1.51	-8.45	1	5	0	68	307.781	6	↓ MOL2 SDF SMILES Flexibase

5562534

Analogs

3990355

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)benzamide N-cyclohexyl-2-(3-(4-methoxyphen…

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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)	4.83	-1.35	-17.84	1	6	0	77	377.444	5	↓ MOL2 SDF SMILES Flexibase

5562574

Analogs

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Popular Name: 2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-furylmethyl)benzamide 2-[3-(2-fluorophenyl)-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)	3.64	-0.07	-18.89	1	6	0	81	363.348	5	↓ MOL2 SDF SMILES Flexibase

5562626

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-3-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-quinoline 2-methoxy-3-[5-(4-nitrophenyl)-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)	4.02	-0.45	-11.43	0	8	0	106	348.318	4	↓ MOL2 SDF SMILES Flexibase

5562723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-2-(3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl)benzamide N-(2-ethoxyphenyl)-2-(3-(2-fluor…

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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)	5.07	0.5	-20.71	1	6	0	77	403.413	6	↓ MOL2 SDF SMILES Flexibase

5562784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)-N-((tetrahydrofuran-2-yl)methyl)benzamide 2-(3-(4-methoxyphenyl)-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)	3.30	6.37	-18.97	1	7	0	86	379.416	6	↓ MOL2 SDF SMILES Flexibase

5562786

Analogs

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Popular Name: 2-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)-N-((tetrahydrofuran-2-yl)methyl)benzamide 2-(3-(4-methoxyphenyl)-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)	3.30	6.4	-18.56	1	7	0	86	379.416	6	↓ MOL2 SDF SMILES Flexibase

5562807

Analogs

2398865

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-N-phenylbenzamide 2-(3-(4-fluorophenyl)-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)	4.73	0.17	-14.83	1	5	0	68	359.36	4	↓ MOL2 SDF SMILES Flexibase

5562852

Analogs

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Popular Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (3-phenyl-1,2,4-oxadiazol-5-yl)m…

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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)	4.45	9.73	-15.23	0	7	0	83	380.791	6	↓ MOL2 SDF SMILES Flexibase

5562875

Analogs

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Popular Name: 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-propanamide 3-[3-(2-chlorophenyl)-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)	2.23	-1.45	-11.21	1	5	0	68	265.7	4	↓ MOL2 SDF SMILES Flexibase

5562923

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-3-(3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)propanamide N-(2,5-dimethylphenyl)-3-(3-(2-m…

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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)	4.13	0.14	-13.91	1	6	0	77	351.406	6	↓ MOL2 SDF SMILES Flexibase

5562947

Analogs

2380448

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Popular Name: N-(tert-butyl)-2-(3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl)benzamide N-(tert-butyl)-2-(3-(2-fluorophe…

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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)	4.17	0.05	-18.44	1	5	0	68	339.37	4	↓ MOL2 SDF SMILES Flexibase

5562970

Analogs

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Popular Name: N-(4-chlorophenyl)-3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-propanamide N-(4-chlorophenyl)-3-[3-(4-tert-…

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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)	5.68	0.03	-10.65	1	5	0	68	383.879	6	↓ MOL2 SDF SMILES Flexibase

5562973

Analogs

21122402

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Popular Name: N-(m-tolyl)-3-(3-(p-tolyl)-1,2,4-oxadiazol-5-yl)propanamide N-(m-tolyl)-3-(3-(p-tolyl)-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)	4.17	-0.35	-11.18	1	5	0	68	321.38	5	↓ MOL2 SDF SMILES Flexibase

5562981

Analogs

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Popular Name: 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-yl-propan-1-one 3-[3-(3-methoxyphenyl)-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)	2.28	-1	-11.84	0	6	0	68	301.346	5	↓ MOL2 SDF SMILES Flexibase

5563006

Analogs

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Popular Name: (4-methyl-1-piperidyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-methanone (4-methyl-1-piperidyl)-[2-(3-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)	3.79	-0.02	-17.12	0	5	0	59	347.418	3	↓ MOL2 SDF SMILES Flexibase

5563049

Analogs

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Popular Name: 2-methoxy-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-quinoline 2-methoxy-8-methyl-3-(5-propyl-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)	3.84	-0.36	-9.7	0	5	0	61	283.331	4	↓ MOL2 SDF SMILES Flexibase

5563084

Analogs

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Popular Name: N-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide N-(4-chlorophenyl)-2-(3-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)	5.25	-0.54	-18.51	1	5	0	68	375.815	4	↓ MOL2 SDF SMILES Flexibase

5563106

Analogs

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Popular Name: N-(2-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide N-(2-fluorophenyl)-3-(3-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)	3.42	-0.2	-10.42	1	5	0	68	311.316	5	↓ MOL2 SDF SMILES Flexibase

5563110

Analogs

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Popular Name: N-(4-chlorophenyl)-3-(3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)propanamide N-(4-chlorophenyl)-3-(3-(3-metho…

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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	-1.11	-13.04	1	6	0	77	357.797	6	↓ MOL2 SDF SMILES Flexibase

5563116

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)benzamide N-(4-ethoxyphenyl)-2-(3-(4-metho…

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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)	5.06	-0.34	-20.31	1	7	0	86	415.449	7	↓ MOL2 SDF SMILES Flexibase

5563123

Analogs

2398865

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenyl-benzamide 2-[3-(2-fluorophenyl)-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)	4.68	0.16	-20.37	1	5	0	68	359.36	4	↓ MOL2 SDF SMILES Flexibase

5563129

Analogs

26366867

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-3-(3-(m-tolyl)-1,2,4-oxadiazol-5-yl)propanamide N-(2-chlorophenyl)-3-(3-(m-tolyl…

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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)	4.35	-0.64	-9.87	1	5	0	68	341.798	5	↓ MOL2 SDF SMILES Flexibase

5563136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)-N-(p-tolyl)propanamide 3-(3-(2-chlorophenyl)-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)	4.38	-0.66	-12.36	1	5	0	68	341.798	5	↓ MOL2 SDF SMILES Flexibase

5563207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethyl-propanamide 3-[3-(3-methoxyphenyl)-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)	1.44	-0.15	-12.08	0	6	0	68	275.308	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 448
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 = 448 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=448&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": "448"        

    });
</script>

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