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ZINC Item

Suppliers, Protomers, & Similar Substances

44018132

Analogs

43481696
43481699

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-8-(4-chlorophenyl)-5-methyl-8-octadecoxy-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one (8S)-8-(4-chlorophenyl)-5-methyl…

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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)	9.32	20.52	-7.06	0	5	0	57	549.221	19	↓ MOL2 SDF SMILES Flexibase

44018135

Analogs

43481696
43481699

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-8-(4-chlorophenyl)-5-methyl-8-octadecoxy-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one (8R)-8-(4-chlorophenyl)-5-methyl…

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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)	9.32	20.62	-7.25	0	5	0	57	549.221	19	↓ MOL2 SDF SMILES Flexibase

44018411

Analogs

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Popular Name: 3-[4-[3-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-2-tetradecoxy-propoxy]phenyl]-4H-1,2,4-oxadiazol- 3-[4-[3-[4-(5-oxo-4H-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)	8.80	14.71	-54.22	1	11	-1	149	607.728	22	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	8.57	17.25	-20.41	2	11	0	145	608.736	22	↓ MOL2 SDF SMILES Flexibase

44018585

Analogs

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Popular Name: 3-[4-[(2S)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-3-tetradecoxy-propoxy]phenyl]-4H-1,2,4-oxadi 3-[4-[(2S)-2-[4-(5-oxo-4H-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)	8.80	13.74	-52.88	1	11	-1	149	607.728	22	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	8.57	16.28	-20.09	2	11	0	145	608.736	22	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	8.80	13.73	-53.11	1	11	-1	149	607.728	22	↓ MOL2 SDF SMILES Flexibase

44018587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[(2R)-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-3-tetradecoxy-propoxy]phenyl]-4H-1,2,4-oxadi 3-[4-[(2R)-2-[4-(5-oxo-4H-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)	8.80	13.84	-52.3	1	11	-1	149	607.728	22	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	8.57	16.37	-19.11	2	11	0	145	608.736	22	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	8.80	13.83	-54.67	1	11	-1	149	607.728	22	↓ MOL2 SDF SMILES Flexibase

57993066

Analogs

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Popular Name: 2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)-N-(2,4,6-trichlorophenyl)acetamide 2-(5-oxo-3-phenyl-1,2,4-oxadiazo…

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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	9.62	-14.46	1	6	0	77	398.633	4	↓ MOL2 SDF SMILES Flexibase

58304837

Analogs

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Popular Name: 4-[(5-acetyl-2-methoxy-phenyl)methyl]-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one 4-[(5-acetyl-2-methoxy-phenyl)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)	0.98	8.56	-15.66	0	8	0	100	326.312	5	↓ MOL2 SDF SMILES Flexibase

58304848

Analogs

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Popular Name: 4-fluoro-3-[(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile 4-fluoro-3-[(5-oxo-3-pyrimidin-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)	0.94	8.24	-15.61	0	7	0	98	297.249	3	↓ MOL2 SDF SMILES Flexibase

58305302

Analogs

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Popular Name: N-(tert-butylcarbamoyl)-2-[5-oxo-3-(2-thienyl)-1,2,4-oxadiazol-4-yl]acetamide N-(tert-butylcarbamoyl)-2-[5-oxo…

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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)	1.05	5.78	-25.13	2	8	0	106	324.362	4	↓ MOL2 SDF SMILES Flexibase

58305303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(tert-butylcarbamoyl)-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide N-(tert-butylcarbamoyl)-2-(5-oxo…

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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)	-0.56	4.7	-29.72	2	10	0	132	320.309	4	↓ MOL2 SDF SMILES Flexibase

58305826

Analogs

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Popular Name: N-(3-isopropoxypropyl)-2-[3-(o-tolyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide N-(3-isopropoxypropyl)-2-[3-(o-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	7.47	-17.59	1	7	0	86	333.388	8	↓ MOL2 SDF SMILES Flexibase

58306706

Analogs

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Popular Name: 4-[2-(5-oxo-3-pyrazin-2-yl-1,2,4-oxadiazol-4-yl)ethoxy]benzonitrile 4-[2-(5-oxo-3-pyrazin-2-yl-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)	0.93	7.18	-14.49	0	8	0	107	309.285	5	↓ MOL2 SDF SMILES Flexibase

58306738

Analogs

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Popular Name: 4-[(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile 4-[(5-oxo-3-pyrimidin-2-yl-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)	0.85	8.47	-15.93	0	7	0	98	279.259	3	↓ MOL2 SDF SMILES Flexibase

58306752

Analogs

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Popular Name: 4-[(5-oxo-3-pyrazin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzonitrile 4-[(5-oxo-3-pyrazin-2-yl-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)	0.84	7.47	-13.81	0	7	0	98	279.259	3	↓ MOL2 SDF SMILES Flexibase

58306754

Analogs

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Popular Name: 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide 2-(5-oxo-3-pyrimidin-2-yl-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)	0.56	7.29	-21.08	1	8	0	103	325.328	5	↓ MOL2 SDF SMILES Flexibase

58306756

Analogs

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Popular Name: 2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1R)-1-phenylethyl]acetamide 2-(5-oxo-3-pyrimidin-2-yl-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)	0.56	7.28	-20	1	8	0	103	325.328	5	↓ MOL2 SDF SMILES Flexibase

58306793

Analogs

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Popular Name: 3-[(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)methyl]benzamide 3-[(5-oxo-3-pyrimidin-2-yl-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)	-0.11	4.85	-24.24	2	8	0	117	297.274	4	↓ MOL2 SDF SMILES Flexibase

58307608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-3-[5-oxo-3-(2-pyridyl)-1,2,4-oxadiazol-4-yl]propanamide N-(5-methylisoxazol-3-yl)-3-[5-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)	0.08	6.35	-14.49	1	9	0	116	315.289	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.08	6.59	-50.18	2	9	1	117	316.297	5	↓ MOL2 SDF SMILES Flexibase

58308732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide N-isopentyl-2-(5-oxo-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)	2.08	7.21	-17.1	1	6	0	77	289.335	6	↓ MOL2 SDF SMILES Flexibase

58312634

Analogs

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Popular Name: 3-phenyl-4-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2,4-oxadiazol-5-one 3-phenyl-4-[[5-(2-thienyl)-1,3,4…

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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)	2.12	4.59	-17.11	0	7	0	87	326.337	4	↓ MOL2 SDF SMILES Flexibase

58313673

Analogs

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Popular Name: 4-[2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-3-(2-pyridyl)-1,2,4-oxadiazol-5-one 4-[2-[(2S,6R)-2,6-dimethyl-1-pip…

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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)	1.10	8.1	-18.15	0	7	0	81	316.361	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.10	8.29	-53.16	1	7	1	82	317.369	3	↓ MOL2 SDF SMILES Flexibase

58313677

Analogs

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Popular Name: 4-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-3-(2-pyridyl)-1,2,4-oxadiazol-5-one 4-[2-[(2S,6S)-2,6-dimethyl-1-pip…

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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)	1.10	8.54	-15.88	0	7	0	81	316.361	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.10	8.69	-50.37	1	7	1	82	317.369	3	↓ MOL2 SDF SMILES Flexibase

58313680

Analogs

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Popular Name: 4-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-3-(2-pyridyl)-1,2,4-oxadiazol-5-one 4-[2-[(2R,6R)-2,6-dimethyl-1-pip…

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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)	1.10	8.57	-16.39	0	7	0	81	316.361	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.10	8.71	-50.04	1	7	1	82	317.369	3	↓ MOL2 SDF SMILES Flexibase

58324322

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-4-(3-pyridylmethyl)-1,2,4-oxadiazol-5-one 3-(3,4-dimethoxyphenyl)-4-(3-pyr…

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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	7.04	-15.12	0	7	0	79	313.313	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.33	7.5	-42.92	1	7	1	81	314.321	5	↓ MOL2 SDF SMILES Flexibase

58324437

Analogs

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Popular Name: N,N-dimethyl-3-[[5-oxo-3-(2-thienyl)-1,2,4-oxadiazol-4-yl]methyl]benzamide N,N-dimethyl-3-[[5-oxo-3-(2-thie…

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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	8.14	-14.12	0	6	0	68	329.381	4	↓ MOL2 SDF SMILES Flexibase

58324819

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-one 3-(3,4-dimethoxyphenyl)-4-[(5-et…

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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)	0.18	2.54	-16.03	0	9	0	105	332.316	6	↓ MOL2 SDF SMILES Flexibase

58325718

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-4-[3-(1,2,4-triazol-1-yl)propyl]-1,2,4-oxadiazol-5-one 3-(3,4-dimethoxyphenyl)-4-[3-(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)	0.39	8.9	-19.25	0	9	0	97	331.332	7	↓ MOL2 SDF SMILES Flexibase

58327334

Analogs

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Popular Name: N,N-dimethyl-3-[(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)methyl]benzamide N,N-dimethyl-3-[(5-oxo-3-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)	1.86	9.46	-14.27	0	6	0	68	323.352	4	↓ MOL2 SDF SMILES Flexibase

58328738

Analogs

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Popular Name: 3-phenyl-4-(4-pyridylmethyl)-1,2,4-oxadiazol-5-one 3-phenyl-4-(4-pyridylmethyl)-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)	1.63	7.84	-11.78	0	5	0	61	253.261	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.63	8.29	-40.99	1	5	1	62	254.269	3	↓ MOL2 SDF SMILES Flexibase

58329645

Analogs

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Popular Name: 4-[3-(3-bromophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]butanenitrile 4-[3-(3-bromophenyl)-5-oxo-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)	1.84	8.37	-19.41	0	5	0	72	308.135	4	↓ MOL2 SDF SMILES Flexibase

58329739

Analogs

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Popular Name: 4-[(5-acetyl-2-methoxy-phenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one 4-[(5-acetyl-2-methoxy-phenyl)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)	0.97	7.48	-13.05	0	8	0	100	326.312	5	↓ MOL2 SDF SMILES Flexibase

58330224

Analogs

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Popular Name: 4-[(5-acetyl-2-methoxy-phenyl)methyl]-3-(2-pyridyl)-1,2,4-oxadiazol-5-one 4-[(5-acetyl-2-methoxy-phenyl)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)	1.66	9.34	-13.41	0	7	0	87	325.324	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.66	9.39	-41.01	1	7	1	88	326.332	5	↓ MOL2 SDF SMILES Flexibase

58330330

Analogs

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Popular Name: 4-(p-tolylmethyl)-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one 4-(p-tolylmethyl)-3-pyrazin-2-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)	1.54	7.76	-11.46	0	6	0	74	268.276	3	↓ MOL2 SDF SMILES Flexibase

58332727

Analogs

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Popular Name: N-allyl-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide N-allyl-2-(5-oxo-3-pyrimidin-2-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)	-0.75	3.98	-20.34	1	8	0	103	261.241	5	↓ MOL2 SDF SMILES Flexibase

58333041

Analogs

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Popular Name: 3-(3-bromophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-one 3-(3-bromophenyl)-4-[(5-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)	1.78	5.61	-13.85	0	7	0	87	337.133	3	↓ MOL2 SDF SMILES Flexibase

58341036

Analogs

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Popular Name: 4-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(o-tolyl)-1,2,4-oxadiazol-5-one 4-[[3-(2-furyl)-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)	2.57	6.72	-15.98	0	8	0	100	324.296	4	↓ MOL2 SDF SMILES Flexibase

58341825

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-oxadiazol-5-one 3-(3,4-dimethoxyphenyl)-4-[(3-et…

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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	4.92	-15.3	0	9	0	105	332.316	6	↓ MOL2 SDF SMILES Flexibase

58341897

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-4-[2-oxo-2-(1-piperidyl)ethyl]-1,2,4-oxadiazol-5-one 3-(3,4-dimethoxyphenyl)-4-[2-oxo…

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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)	1.23	7.48	-18.33	0	8	0	87	347.371	5	↓ MOL2 SDF SMILES Flexibase

58342036

Analogs

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Popular Name: 4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one 4-(3-phenylpropyl)-3-pyrimidin-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)	1.82	9.26	-14.69	0	6	0	74	282.303	5	↓ MOL2 SDF SMILES Flexibase

58342217

Analogs

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Popular Name: 4-[2-(2-naphthyloxy)ethyl]-3-(2-pyridyl)-1,2,4-oxadiazol-5-one 4-[2-(2-naphthyloxy)ethyl]-3-(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)	3.04	10.94	-12.21	0	6	0	70	333.347	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.04	10.5	-48.97	1	6	1	71	334.355	5	↓ MOL2 SDF SMILES Flexibase

58342222

Analogs

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Popular Name: 3-(2-pyridyl)-4-(8-quinolylmethyl)-1,2,4-oxadiazol-5-one 3-(2-pyridyl)-4-(8-quinolylmethy…

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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)	1.73	9.79	-16.54	0	6	0	74	304.309	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.73	9.88	-42.2	1	6	1	75	305.317	3	↓ MOL2 SDF SMILES Flexibase

58342224

Analogs

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Popular Name: 4-(8-quinolylmethyl)-3-(2-thienyl)-1,2,4-oxadiazol-5-one 4-(8-quinolylmethyl)-3-(2-thieny…

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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)	2.66	9.49	-14.93	0	5	0	61	309.35	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.66	10.09	-43.28	1	5	1	62	310.358	3	↓ MOL2 SDF SMILES Flexibase

58342604

Analogs

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Popular Name: 4-(2-chloroallyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-one 4-(2-chloroallyl)-3-(3,4-dimetho…

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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)	1.95	6.88	-11.94	0	6	0	67	296.71	5	↓ MOL2 SDF SMILES Flexibase

58342847

Analogs

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Popular Name: 4-[(5-methylisoxazol-3-yl)methyl]-3-(o-tolyl)-1,2,4-oxadiazol-5-one 4-[(5-methylisoxazol-3-yl)methyl…

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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)	2.26	7.96	-10.99	0	6	0	74	271.276	3	↓ MOL2 SDF SMILES Flexibase

58342989

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide N-[(3R)-1,1-dioxothiolan-3-yl]-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	1.52	-30.93	1	10	0	137	339.333	4	↓ MOL2 SDF SMILES Flexibase

58342990

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(5-oxo-3-pyrimidin-2-yl-1,2,4-oxadiazol-4-yl)acetamide N-[(3S)-1,1-dioxothiolan-3-yl]-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	1.53	-29.02	1	10	0	137	339.333	4	↓ MOL2 SDF SMILES Flexibase

58343295

Analogs

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Popular Name: 2-[3-(3-bromophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide 2-[3-(3-bromophenyl)-5-oxo-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)	0.84	3.45	-16.06	2	6	0	91	298.096	3	↓ MOL2 SDF SMILES Flexibase

58343302

Analogs

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Popular Name: 2-[3-(3-bromophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]-N-propyl-acetamide 2-[3-(3-bromophenyl)-5-oxo-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)	2.09	6.54	-17.32	1	6	0	77	340.177	5	↓ MOL2 SDF SMILES Flexibase

58343418

Analogs

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Popular Name: 2-[3-(3,4-dimethoxyphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]-N,N-diethyl-acetamide 2-[3-(3,4-dimethoxyphenyl)-5-oxo…

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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)	1.07	7.33	-18.44	0	8	0	87	335.36	7	↓ MOL2 SDF SMILES Flexibase

58343440

Analogs

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Popular Name: N-cyclopropyl-2-[3-(3,4-dimethoxyphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]-N-ethyl-acetamide N-cyclopropyl-2-[3-(3,4-dimethox…

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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)	1.06	7.66	-18.31	0	8	0	87	347.371	7	↓ MOL2 SDF SMILES Flexibase

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