ZINC 12

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	3.51	-46.44	2	5	1	65	280.735	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.57	2.14	-5.26	1	5	0	60	279.727	3	↓ MOL2 SDF SMILES Flexibase

19999324

Analogs

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Popular Name: 3-(4-chlorophenyl)-5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(4-chlorophenyl)-5-[(2R,4R)-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)	2.57	3.55	-46.52	2	5	1	65	280.735	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.57	2.18	-5.32	1	5	0	60	279.727	3	↓ MOL2 SDF SMILES Flexibase

19999327

Analogs

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Popular Name: 3-(4-chlorophenyl)-5-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(4-chlorophenyl)-5-[(2S,4S)-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)	2.57	3.54	-47.32	2	5	1	65	280.735	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.57	2.23	-7.57	1	5	0	60	279.727	3	↓ MOL2 SDF SMILES Flexibase

19999329

Analogs

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Popular Name: 3-(4-chlorophenyl)-5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(4-chlorophenyl)-5-[(2S,4R)-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)	2.57	3.5	-47.05	2	5	1	65	280.735	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.57	2.19	-6.05	1	5	0	60	279.727	3	↓ MOL2 SDF SMILES Flexibase

54444207

Analogs

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Popular Name: 3-(2-fluorophenyl)-5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(2-fluorophenyl)-5-[(2R,4R)-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)	2.01	3.08	-46.79	2	5	1	65	264.28	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.01	1.7	-11.02	1	5	0	60	263.272	3	↓ MOL2 SDF SMILES Flexibase

54444209

Analogs

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Popular Name: 3-(2-fluorophenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(2-fluorophenyl)-5-[(2R,4S)-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)	2.01	2.99	-46.08	2	5	1	65	264.28	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.01	1.61	-9.54	1	5	0	60	263.272	3	↓ MOL2 SDF SMILES Flexibase

54444211

Analogs

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Popular Name: 3-(2-fluorophenyl)-5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(2-fluorophenyl)-5-[(2S,4R)-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)	2.01	3	-45.41	2	5	1	65	264.28	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.01	1.63	-10.71	1	5	0	60	263.272	3	↓ MOL2 SDF SMILES Flexibase

54444215

Analogs

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Popular Name: 3-(2-fluorophenyl)-5-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(2-fluorophenyl)-5-[(2S,4S)-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)	2.01	3.05	-47.05	2	5	1	65	264.28	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.01	1.75	-13.33	1	5	0	60	263.272	3	↓ MOL2 SDF SMILES Flexibase

4890491

Analogs

44430994
44430996
44431651
44431654
44432511

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Popular Name: 1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pentan-1-one 1-[2-[3-(3-methoxyphenyl)-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)	3.73	-0.53	-18.01	0	6	0	68	329.4	6	↓ MOL2 SDF SMILES Flexibase

62790708

Analogs

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Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole 3-(3-chloro-4-fluoro-phenyl)-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)	2.96	4.41	-43.4	2	4	1	56	268.699	2	↓ MOL2 SDF SMILES Flexibase

62790709

Analogs

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Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole 3-(3-chloro-4-fluoro-phenyl)-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)	2.96	4.46	-43.05	2	4	1	56	268.699	2	↓ MOL2 SDF SMILES Flexibase

62790722

Analogs

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Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(3-chloro-4-fluoro-phenyl)-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)	2.66	3.5	-47.1	2	5	1	65	298.725	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.66	2.12	-6.9	1	5	0	60	297.717	3	↓ MOL2 SDF SMILES Flexibase

62790723

Analogs

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Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(3-chloro-4-fluoro-phenyl)-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)	2.66	3.41	-46.69	2	5	1	65	298.725	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.66	2.03	-5.69	1	5	0	60	297.717	3	↓ MOL2 SDF SMILES Flexibase

62790724

Analogs

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Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(3-chloro-4-fluoro-phenyl)-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)	2.66	3.42	-45.93	2	5	1	65	298.725	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.66	2.05	-6.62	1	5	0	60	297.717	3	↓ MOL2 SDF SMILES Flexibase

62790725

Analogs

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Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(3-chloro-4-fluoro-phenyl)-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)	2.66	3.47	-47.4	2	5	1	65	298.725	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.66	2.17	-9.1	1	5	0	60	297.717	3	↓ MOL2 SDF SMILES Flexibase

65320562

Analogs

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Popular Name: (2R)-N-(3-methoxypropyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2R)-N-(3-methoxypropyl)-2-(3-ph…

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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)	2.89	4.5	-17.49	1	7	0	80	330.388	6	↓ MOL2 SDF SMILES Flexibase

65320563

Analogs

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Popular Name: (2S)-N-(3-methoxypropyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (2S)-N-(3-methoxypropyl)-2-(3-ph…

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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)	2.89	4.49	-17.86	1	7	0	80	330.388	6	↓ MOL2 SDF SMILES Flexibase

65320583

Analogs

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Popular Name: (2R)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]-N-propyl-pyrrolidine-1-carboxamide (2R)-2-[3-(o-tolyl)-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)	3.92	5.95	-17.61	1	6	0	71	314.389	4	↓ MOL2 SDF SMILES Flexibase

65320584

Analogs

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Popular Name: (2S)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]-N-propyl-pyrrolidine-1-carboxamide (2S)-2-[3-(o-tolyl)-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)	3.92	5.93	-17.34	1	6	0	71	314.389	4	↓ MOL2 SDF SMILES Flexibase

65320614

Analogs

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Popular Name: (2S)-N-(3-methoxypropyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(3-methoxypropyl)-2-[3-(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)	3.29	5.01	-17.3	1	7	0	80	344.415	6	↓ MOL2 SDF SMILES Flexibase

65320616

Analogs

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Popular Name: (2R)-N-(3-methoxypropyl)-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(3-methoxypropyl)-2-[3-(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)	3.29	5	-18.24	1	7	0	80	344.415	6	↓ MOL2 SDF SMILES Flexibase

65320641

Analogs

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Popular Name: (2R)-N-[(1R)-1-methylpropyl]-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-[(1R)-1-methylpropyl]-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)	4.25	6.95	-17.63	1	6	0	71	328.416	4	↓ MOL2 SDF SMILES Flexibase

65320642

Analogs

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Popular Name: (2R)-N-[(1S)-1-methylpropyl]-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-[(1S)-1-methylpropyl]-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)	4.25	6.95	-17.62	1	6	0	71	328.416	4	↓ MOL2 SDF SMILES Flexibase

65320644

Analogs

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Popular Name: (2S)-N-[(1R)-1-methylpropyl]-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-[(1R)-1-methylpropyl]-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)	4.25	6.93	-17.35	1	6	0	71	328.416	4	↓ MOL2 SDF SMILES Flexibase

65320646

Analogs

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Popular Name: (2S)-N-[(1S)-1-methylpropyl]-2-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-[(1S)-1-methylpropyl]-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)	4.25	6.93	-17.38	1	6	0	71	328.416	4	↓ MOL2 SDF SMILES Flexibase

65320652

Analogs

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Popular Name: (2R)-N-[(1R)-1-methylpropyl]-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-[(1R)-1-methylpropyl]-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)	4.27	7.12	-17.31	1	6	0	71	328.416	4	↓ MOL2 SDF SMILES Flexibase

65320655

Analogs

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Popular Name: (2R)-N-[(1S)-1-methylpropyl]-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-[(1S)-1-methylpropyl]-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)	4.27	7.12	-17.32	1	6	0	71	328.416	4	↓ MOL2 SDF SMILES Flexibase

65320658

Analogs

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Popular Name: (2S)-N-[(1R)-1-methylpropyl]-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-[(1R)-1-methylpropyl]-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)	4.27	7.08	-17.66	1	6	0	71	328.416	4	↓ MOL2 SDF SMILES Flexibase

65320659

Analogs

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Popular Name: (2S)-N-[(1S)-1-methylpropyl]-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-[(1S)-1-methylpropyl]-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)	4.27	7.09	-17.65	1	6	0	71	328.416	4	↓ MOL2 SDF SMILES Flexibase

65320667

Analogs

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Popular Name: (2S)-N-isopropyl-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-isopropyl-2-[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)	3.74	6.15	-17.34	1	6	0	71	314.389	3	↓ MOL2 SDF SMILES Flexibase

65320669

Analogs

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Popular Name: (2R)-N-isopropyl-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-isopropyl-2-[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)	3.74	6.13	-17.9	1	6	0	71	314.389	3	↓ MOL2 SDF SMILES Flexibase

65320670

Analogs

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Popular Name: (2R)-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-N-propyl-pyrrolidine-1-carboxamide (2R)-2-[3-(m-tolyl)-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)	3.94	6.11	-17.26	1	6	0	71	314.389	4	↓ MOL2 SDF SMILES Flexibase

65320671

Analogs

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Popular Name: (2S)-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-N-propyl-pyrrolidine-1-carboxamide (2S)-2-[3-(m-tolyl)-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)	3.94	6.1	-17.65	1	6	0	71	314.389	4	↓ MOL2 SDF SMILES Flexibase

65320684

Analogs

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Popular Name: (2S)-N-(3-methoxypropyl)-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2S)-N-(3-methoxypropyl)-2-[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)	3.32	5.16	-17.46	1	7	0	80	344.415	6	↓ MOL2 SDF SMILES Flexibase

65320686

Analogs

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Popular Name: (2R)-N-(3-methoxypropyl)-2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (2R)-N-(3-methoxypropyl)-2-[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)	3.32	5.15	-17.91	1	7	0	80	344.415	6	↓ MOL2 SDF SMILES Flexibase

37330639

Analogs

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Popular Name: 3-(3-chlorophenyl)-5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-[(2R,4R)-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)	2.55	3.45	-45.68	2	5	1	65	280.735	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.55	2.07	-7.79	1	5	0	60	279.727	3	↓ MOL2 SDF SMILES Flexibase

37330641

Analogs

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Popular Name: 3-(3-chlorophenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-[(2R,4S)-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)	2.55	3.36	-45.18	2	5	1	65	280.735	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.55	1.98	-6.47	1	5	0	60	279.727	3	↓ MOL2 SDF SMILES Flexibase

37330643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)-5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-[(2S,4R)-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)	2.55	3.37	-44.51	2	5	1	65	280.735	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.55	2	-7.48	1	5	0	60	279.727	3	↓ MOL2 SDF SMILES Flexibase

37330644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)-5-[(2S,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole 3-(3-chlorophenyl)-5-[(2S,4S)-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)	2.55	3.42	-45.93	2	5	1	65	280.735	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.55	2.11	-9.93	1	5	0	60	279.727	3	↓ MOL2 SDF SMILES Flexibase

67954806

Analogs

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Popular Name: 5-[(2R)-1-methylpyrrolidin-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole 5-[(2R)-1-methylpyrrolidin-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)	3.31	6.98	-40.12	1	4	1	43	298.288	3	↓ MOL2 SDF SMILES Flexibase

67954808

Analogs

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Popular Name: 5-[(2S)-1-methylpyrrolidin-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole 5-[(2S)-1-methylpyrrolidin-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)	3.31	6.64	-41.24	1	4	1	43	298.288	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3139
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 = 3139 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3139&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": "3139"        

    });
</script>

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