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61701872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzene-1,3-diamine 4-methyl-N1-[(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)	1.13	1.2	-7.19	3	5	0	77	218.26	3	↓ MOL2 SDF SMILES Flexibase

20119667

Analogs

44652607
44652618
44652623
44652650
44652653

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-aniline N-[[3-(methoxymethyl)-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)	1.65	2.45	-7.04	1	5	0	60	233.271	5	↓ MOL2 SDF SMILES Flexibase

52841351

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-nitro-benzene-1,2-diamine N1-[(3-methyl-1,2,4-oxadiazol-5-…

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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)	0.64	1.42	-12.71	3	8	0	123	249.23	4	↓ MOL2 SDF SMILES Flexibase

52857430

Analogs

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Popular Name: 5-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile 5-chloro-2-[(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)	1.64	3.46	-11.45	1	5	0	75	248.673	3	↓ MOL2 SDF SMILES Flexibase

52859032

Analogs

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Popular Name: 5-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenecarbothioamide 5-chloro-2-[(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)	1.68	2.33	-16.56	3	5	0	77	282.756	4	↓ MOL2 SDF SMILES Flexibase

52903893

Analogs

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Popular Name: 2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile 2-chloro-6-[(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)	1.61	3.37	-13.55	1	5	0	75	248.673	3	↓ MOL2 SDF SMILES Flexibase

52907554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenecarbothioamide 2-chloro-6-[(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)	1.66	2.23	-16.53	3	5	0	77	282.756	4	↓ MOL2 SDF SMILES Flexibase

58325659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[2-methoxy-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenoxy]acetamide N,N-diethyl-2-[2-methoxy-5-[(3-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)	1.02	5.05	-19.46	1	8	0	90	348.403	9	↓ MOL2 SDF SMILES Flexibase

60511151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-chloro-4-(2-methoxyethoxy)aniline N-[(1R)-1-(3-butyl-1,2,4-oxadiaz…

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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	5.43	-10.23	1	6	0	69	353.85	10	↓ MOL2 SDF SMILES Flexibase

60533469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-nitro-aniline 4-methyl-N-[(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)	1.61	3.89	-12.86	1	7	0	97	248.242	4	↓ MOL2 SDF SMILES Flexibase

62787398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoic 4-chloro-2-[(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)	1.97	3.88	-47.38	1	6	-1	91	266.664	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.97	1.89	-9.98	2	6	0	88	267.672	4	↓ MOL2 SDF SMILES Flexibase

62788447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenecarbothioamide 4-chloro-2-[(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)	1.68	2.32	-15.1	3	5	0	77	282.756	4	↓ MOL2 SDF SMILES Flexibase

62795709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoic 3-chloro-4-[(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)	1.79	3.67	-50.94	1	6	-1	91	266.664	4	↓ MOL2 SDF SMILES Flexibase

62795969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenecarbothioamide 3-chloro-4-[(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)	1.68	2.36	-15.51	3	5	0	77	282.756	4	↓ MOL2 SDF SMILES Flexibase

63005925

Analogs

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Popular Name: 3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoic 3,5-difluoro-4-[(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)	1.37	3.18	-44	1	6	-1	91	268.199	4	↓ MOL2 SDF SMILES Flexibase

69463832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-bis(difluoromethoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline 2,4-bis(difluoromethoxy)-N-[(3-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)	2.43	1.79	-12.51	1	6	0	69	321.23	7	↓ MOL2 SDF SMILES Flexibase

69514562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoic 4-amino-2-[(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)	0.37	1.24	-55.55	3	7	-1	117	247.234	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.37	-0.74	-12.23	4	7	0	114	248.242	4	↓ MOL2 SDF SMILES Flexibase

65513338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]-5-fluoro-4-methyl-benzamide 3-[(3-butyl-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)	2.20	2.31	-10.04	3	6	0	94	306.341	7	↓ MOL2 SDF SMILES Flexibase

65536371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-isopropyl-amino]-2-methyl-benzamide 4-[(3-butyl-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)	3.02	5.51	-10.84	2	6	0	85	330.432	8	↓ MOL2 SDF SMILES Flexibase

65566483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-[(1S)-1-methylpropyl]benzamide 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)	2.62	4.86	-13.57	2	6	0	80	316.405	7	↓ MOL2 SDF SMILES Flexibase

65566485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-N-[(1R)-1-methylpropyl]benzamide 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)	2.62	4.86	-13.57	2	6	0	80	316.405	7	↓ MOL2 SDF SMILES Flexibase

65591277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-hydroxy-1-methyl-ethyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide N-[(1S)-2-hydroxy-1-methyl-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)	0.17	-0.68	-13.54	3	7	0	100	290.323	6	↓ MOL2 SDF SMILES Flexibase

65591278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-hydroxy-1-methyl-ethyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide N-[(1R)-2-hydroxy-1-methyl-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)	0.17	-0.68	-13.56	3	7	0	100	290.323	6	↓ MOL2 SDF SMILES Flexibase

56158334

Analogs

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Popular Name: ethyl 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)	3.22	3.74	-9.44	2	7	0	89	318.377	8	↓ MOL2 SDF SMILES Flexibase

56158335

Analogs

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Popular Name: ethyl 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)	3.22	3.74	-9.7	2	7	0	89	318.377	8	↓ MOL2 SDF SMILES Flexibase

56160348

Analogs

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Popular Name: 2-[5-[[(1R)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methoxy-phenoxy]acetamide 2-[5-[[(1R)-1-(3-isopropyl-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)	1.27	1.44	-18.49	3	8	0	113	334.376	8	↓ MOL2 SDF SMILES Flexibase

56160349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(1S)-1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methoxy-phenoxy]acetamide 2-[5-[[(1S)-1-(3-isopropyl-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)	1.27	1.45	-18.47	3	8	0	113	334.376	8	↓ MOL2 SDF SMILES Flexibase

56162361

Analogs

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Popular Name: N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methoxy-phenyl]acetamide N-[4-[[(1S)-1-(3-tert-butyl-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)	2.76	3.16	-11.2	2	7	0	89	332.404	6	↓ MOL2 SDF SMILES Flexibase

56162362

Analogs

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Popular Name: N-[4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methoxy-phenyl]acetamide N-[4-[[(1R)-1-(3-tert-butyl-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)	2.76	3.16	-11.03	2	7	0	89	332.404	6	↓ MOL2 SDF SMILES Flexibase

56171114

Analogs

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Popular Name: N,N-dimethyl-2-[4-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide N,N-dimethyl-2-[4-[[(1R)-1-(3-me…

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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	4.12	-12.85	1	6	0	71	288.351	5	↓ MOL2 SDF SMILES Flexibase

56171115

Analogs

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Popular Name: N,N-dimethyl-2-[4-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide N,N-dimethyl-2-[4-[[(1S)-1-(3-me…

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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	4.12	-13.32	1	6	0	71	288.351	5	↓ MOL2 SDF SMILES Flexibase

56178551

Analogs

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Popular Name: tert-butyl tert-butyl

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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	4.24	-8.73	2	8	0	99	376.457	9	↓ MOL2 SDF SMILES Flexibase

56178553

Analogs

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Popular Name: tert-butyl tert-butyl

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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	4.25	-8.97	2	8	0	99	376.457	9	↓ MOL2 SDF SMILES Flexibase

69778338

Analogs

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Popular Name: [4-chloro-3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]methanol [4-chloro-3-[[3-(2-methoxyethyl)…

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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)	1.40	0.14	-8.82	2	6	0	80	297.742	7	↓ MOL2 SDF SMILES Flexibase

69813593

Analogs

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Popular Name: N-butyl-2-[5-[(2-chloroanilino)methyl]-1,2,4-oxadiazol-3-yl]acetamide N-butyl-2-[5-[(2-chloroanilino)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)	2.64	3.48	-15.31	2	6	0	80	322.796	8	↓ MOL2 SDF SMILES Flexibase

69873790

Analogs

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Popular Name: 4-methoxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline 4-methoxy-N-[(1R)-1-(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)	1.89	2.51	-7.37	1	5	0	60	233.271	4	↓ MOL2 SDF SMILES Flexibase

69873794

Analogs

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Popular Name: 4-methoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline 4-methoxy-N-[(1S)-1-(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)	1.89	2.51	-7.35	1	5	0	60	233.271	4	↓ MOL2 SDF SMILES Flexibase

69877985

Analogs

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Popular Name: 4-ethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline 4-ethoxy-N-[(1S)-1-(3-methyl-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)	2.27	3.43	-7.2	1	5	0	60	247.298	5	↓ MOL2 SDF SMILES Flexibase

69877987

Analogs

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Popular Name: 4-ethoxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline 4-ethoxy-N-[(1R)-1-(3-methyl-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)	2.27	3.43	-7.19	1	5	0	60	247.298	5	↓ MOL2 SDF SMILES Flexibase

69897228

Analogs

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Popular Name: N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,2,2-trifluoroethoxy)aniline N-[(1R)-1-(3-methyl-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)	2.82	3.9	-8.63	1	5	0	60	301.268	6	↓ MOL2 SDF SMILES Flexibase

69897230

Analogs

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Popular Name: N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,2,2-trifluoroethoxy)aniline N-[(1S)-1-(3-methyl-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)	2.82	3.9	-8.59	1	5	0	60	301.268	6	↓ MOL2 SDF SMILES Flexibase

49236395

Analogs

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Popular Name: N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]butanamide N-[3-[(3-methyl-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)	1.87	3.03	-13.26	2	6	0	80	274.324	6	↓ MOL2 SDF SMILES Flexibase

49282049

Analogs

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Popular Name: 2-fluoro-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitro-aniline 2-fluoro-N-[(3-isopropyl-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)	2.38	4.41	-8.76	1	7	0	97	280.259	5	↓ MOL2 SDF SMILES Flexibase

49282053

Analogs

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Popular Name: 2-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitro-aniline 2-fluoro-N-[(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)	1.33	3.35	-9.26	1	7	0	97	252.205	4	↓ MOL2 SDF SMILES Flexibase

49322756

Analogs

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Popular Name: N-[2,4-difluoro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide N-[2,4-difluoro-5-[(3-methyl-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)	0.68	1.66	-10.02	2	6	0	80	282.25	4	↓ MOL2 SDF SMILES Flexibase

49322773

Analogs

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Popular Name: 3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide 3-methyl-4-[(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)	0.47	0.14	-14.3	3	6	0	94	246.27	4	↓ MOL2 SDF SMILES Flexibase

49322776

Analogs

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Popular Name: 4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methyl-benzamide 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)	1.53	1.21	-13.83	3	6	0	94	274.324	5	↓ MOL2 SDF SMILES Flexibase

49322807

Analogs

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Popular Name: N-[2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]propanamide N-[2-methyl-4-[(3-methyl-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)	1.71	3.09	-12.13	2	6	0	80	274.324	5	↓ MOL2 SDF SMILES Flexibase

49336662

Analogs

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Popular Name: N-[4-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]propanamide N-[4-[[(1S)-1-(3-methyl-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)	1.89	2.93	-11.8	2	6	0	80	274.324	5	↓ MOL2 SDF SMILES Flexibase

49336665

Analogs

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Popular Name: N-[4-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]propanamide N-[4-[[(1R)-1-(3-methyl-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)	1.89	2.93	-11.56	2	6	0	80	274.324	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 6900
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 = 6900 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=6900&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', {
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    });
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