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ZINC Item

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52861489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N,N-diethyl-2-[(3S)-3-(3-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)	0.52	5.9	-43.07	1	6	1	64	281.38	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.52	3.72	-10.22	0	6	0	62	280.372	5	↓ MOL2 SDF SMILES Flexibase

52861490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N,N-diethyl-2-[(3R)-3-(3-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)	0.52	5.9	-43.06	1	6	1	64	281.38	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.52	3.72	-10.15	0	6	0	62	280.372	5	↓ MOL2 SDF SMILES Flexibase

52861494

Analogs

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Popular Name: N-allyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]acetamide N-allyl-2-[(3S)-3-(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)	0.67	3.45	-44.17	2	6	1	72	265.337	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.67	1.29	-10.2	1	6	0	71	264.329	5	↓ MOL2 SDF SMILES Flexibase

19993999

Analogs

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Popular Name: N,N-diethyl-2-[5-[(3R)-3-piperidyl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3R)-3-piperid…

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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)	0.80	5.05	-88.94	3	5	2	60	254.378	6	↓ MOL2 SDF SMILES Flexibase

19994002

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[5-[(3S)-3-piperidyl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3S)-3-piperid…

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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)	0.80	5	-90.6	3	5	2	60	254.378	6	↓ MOL2 SDF SMILES Flexibase

62871619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3R)-3-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)	1.43	5.23	-83.56	3	5	2	60	268.405	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.43	3.11	-40.26	2	5	1	59	267.397	6	↓ MOL2 SDF SMILES Flexibase

62871620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3S)-3-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)	1.43	5.23	-84.47	3	5	2	60	268.405	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.43	3.11	-40.32	2	5	1	59	267.397	6	↓ MOL2 SDF SMILES Flexibase

62871621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[5-[(3S)-3-ethyl-3-piperidyl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3S)-3-ethyl-3…

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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)	1.75	6.57	-83.75	3	5	2	60	282.432	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.75	4.44	-40.66	2	5	1	59	281.424	7	↓ MOL2 SDF SMILES Flexibase

62871622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[5-[(3R)-3-ethyl-3-piperidyl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3R)-3-ethyl-3…

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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)	1.75	6.56	-84.88	3	5	2	60	282.432	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.75	4.44	-40.69	2	5	1	59	281.424	7	↓ MOL2 SDF SMILES Flexibase

62871623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[5-[(3S)-3-propyl-3-piperidyl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3S)-3-propyl-…

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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)	2.31	7.33	-84.08	3	5	2	60	296.459	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.31	5.22	-40.94	2	5	1	59	295.451	8	↓ MOL2 SDF SMILES Flexibase

62871624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-[5-[(3R)-3-propyl-3-piperidyl]-1,2,4-oxadiazol-3-yl]ethanamine N,N-diethyl-2-[5-[(3R)-3-propyl-…

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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)	2.31	7.32	-85.36	3	5	2	60	296.459	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.31	5.21	-40.98	2	5	1	59	295.451	8	↓ MOL2 SDF SMILES Flexibase

62871741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-isobutyl-5-[(3R)-3-methyl-3-pi…

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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)	1.77	3.94	-39.84	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

62871742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-isobutyl-5-[(3S)-3-methyl-3-pi…

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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)	1.77	3.94	-39.72	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

62871747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethyl-3-piperidyl]-3-isobutyl-1,2,4-oxadiazole 5-[(3S)-3-ethyl-3-piperidyl]-3-i…

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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	5.13	-40.11	2	4	1	56	238.355	4	↓ MOL2 SDF SMILES Flexibase

62871748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethyl-3-piperidyl]-3-isobutyl-1,2,4-oxadiazole 5-[(3R)-3-ethyl-3-piperidyl]-3-i…

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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	5.12	-40.12	2	4	1	56	238.355	4	↓ MOL2 SDF SMILES Flexibase

62871749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-5-[(3S)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-isobutyl-5-[(3S)-3-propyl-3-pi…

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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)	2.65	5.9	-40.41	2	4	1	56	252.382	5	↓ MOL2 SDF SMILES Flexibase

62871750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isobutyl-5-[(3R)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-isobutyl-5-[(3R)-3-propyl-3-pi…

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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)	2.65	5.89	-40.38	2	4	1	56	252.382	5	↓ MOL2 SDF SMILES Flexibase

62871775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-isopropyl-5-[(3R)-3-methyl-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)	1.51	3.01	-40.23	2	4	1	56	210.301	2	↓ MOL2 SDF SMILES Flexibase

62871776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-isopropyl-5-[(3S)-3-methyl-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)	1.51	3.01	-40.2	2	4	1	56	210.301	2	↓ MOL2 SDF SMILES Flexibase

62871777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethyl-3-piperidyl]-3-isopropyl-1,2,4-oxadiazole 5-[(3S)-3-ethyl-3-piperidyl]-3-i…

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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)	1.83	4.35	-40.45	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

62871778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethyl-3-piperidyl]-3-isopropyl-1,2,4-oxadiazole 5-[(3R)-3-ethyl-3-piperidyl]-3-i…

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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)	1.83	4.35	-40.39	2	4	1	56	224.328	3	↓ MOL2 SDF SMILES Flexibase

62871779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-[(3S)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-isopropyl-5-[(3S)-3-propyl-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)	2.39	5.12	-40.7	2	4	1	56	238.355	4	↓ MOL2 SDF SMILES Flexibase

62871780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-5-[(3R)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-isopropyl-5-[(3R)-3-propyl-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)	2.39	5.11	-40.73	2	4	1	56	238.355	4	↓ MOL2 SDF SMILES Flexibase

62871823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-ethyl-5-[(3R)-3-methyl-3-piper…

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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	2.57	-40.4	2	4	1	56	196.274	2	↓ MOL2 SDF SMILES Flexibase

62871824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-ethyl-5-[(3S)-3-methyl-3-piper…

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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	2.57	-40.28	2	4	1	56	196.274	2	↓ MOL2 SDF SMILES Flexibase

62871825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3R)-3-ethyl-3-piperidyl]-1,2,4-oxadiazole 3-ethyl-5-[(3R)-3-ethyl-3-piperi…

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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)	1.35	3.9	-40.6	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

62871826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3S)-3-ethyl-3-piperidyl]-1,2,4-oxadiazole 3-ethyl-5-[(3S)-3-ethyl-3-piperi…

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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)	1.35	3.9	-40.54	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

62871827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-5-[(3S)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-ethyl-5-[(3S)-3-propyl-3-piper…

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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)	1.91	4.67	-40.8	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

62871828

Analogs

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Popular Name: 3-ethyl-5-[(3R)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-ethyl-5-[(3R)-3-propyl-3-piper…

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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)	1.91	4.66	-40.77	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

62871859

Analogs

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Popular Name: 5-[(3S)-3-ethyl-3-piperidyl]-3-methyl-1,2,4-oxadiazole 5-[(3S)-3-ethyl-3-piperidyl]-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)	0.77	3.29	-40.76	2	4	1	56	196.274	2	↓ MOL2 SDF SMILES Flexibase

62871860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethyl-3-piperidyl]-3-methyl-1,2,4-oxadiazole 5-[(3R)-3-ethyl-3-piperidyl]-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)	0.77	3.28	-40.8	2	4	1	56	196.274	2	↓ MOL2 SDF SMILES Flexibase

62871861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[(3S)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-methyl-5-[(3S)-3-propyl-3-pipe…

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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	4.05	-40.97	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

62871862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-5-[(3R)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-methyl-5-[(3R)-3-propyl-3-pipe…

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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	4.04	-40.96	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

62871917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-5-[(3S)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3S)-3-methyl-3-…

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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)	2.17	3.57	-39.88	2	4	1	56	224.328	2	↓ MOL2 SDF SMILES Flexibase

62871918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-5-[(3R)-3-methyl-3-piperidyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3R)-3-methyl-3-…

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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)	2.17	3.57	-39.9	2	4	1	56	224.328	2	↓ MOL2 SDF SMILES Flexibase

62871919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-5-[(3S)-3-ethyl-3-piperidyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3S)-3-ethyl-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)	2.50	4.91	-40.04	2	4	1	56	238.355	3	↓ MOL2 SDF SMILES Flexibase

62871920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-5-[(3R)-3-ethyl-3-piperidyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3R)-3-ethyl-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)	2.50	4.9	-40.06	2	4	1	56	238.355	3	↓ MOL2 SDF SMILES Flexibase

62871921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-5-[(3S)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3S)-3-propyl-3-…

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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)	3.06	5.67	-40.31	2	4	1	56	252.382	4	↓ MOL2 SDF SMILES Flexibase

62871922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-tert-butyl-5-[(3R)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-tert-butyl-5-[(3R)-3-propyl-3-…

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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)	3.06	5.66	-40.34	2	4	1	56	252.382	4	↓ MOL2 SDF SMILES Flexibase

62872138

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-methyl-3-piperidyl]-3-propyl-1,2,4-oxadiazole 5-[(3R)-3-methyl-3-piperidyl]-3-…

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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	3.33	-40.21	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

62872139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-methyl-3-piperidyl]-3-propyl-1,2,4-oxadiazole 5-[(3S)-3-methyl-3-piperidyl]-3-…

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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	3.34	-40.17	2	4	1	56	210.301	3	↓ MOL2 SDF SMILES Flexibase

62872142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethyl-3-piperidyl]-3-propyl-1,2,4-oxadiazole 5-[(3R)-3-ethyl-3-piperidyl]-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)	1.85	4.67	-40.41	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

62872143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethyl-3-piperidyl]-3-propyl-1,2,4-oxadiazole 5-[(3S)-3-ethyl-3-piperidyl]-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)	1.85	4.67	-40.34	2	4	1	56	224.328	4	↓ MOL2 SDF SMILES Flexibase

62872146

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-propyl-5-[(3R)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-propyl-5-[(3R)-3-propyl-3-pipe…

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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)	2.41	5.43	-40.68	2	4	1	56	238.355	5	↓ MOL2 SDF SMILES Flexibase

62872147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-propyl-5-[(3S)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-propyl-5-[(3S)-3-propyl-3-pipe…

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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)	2.41	5.43	-40.61	2	4	1	56	238.355	5	↓ MOL2 SDF SMILES Flexibase

62872220

Analogs

42413009
42413010

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-methyl-3-piperidyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-[(3S)-3-methyl-3-piperidyl]-3-…

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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)	1.57	2.84	-43.15	2	4	1	56	250.244	3	↓ MOL2 SDF SMILES Flexibase

62872221

Analogs

42413009
42413010

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-methyl-3-piperidyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-[(3R)-3-methyl-3-piperidyl]-3-…

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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)	1.57	2.84	-42.59	2	4	1	56	250.244	3	↓ MOL2 SDF SMILES Flexibase

62872222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethyl-3-piperidyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-[(3S)-3-ethyl-3-piperidyl]-3-(…

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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)	1.90	4.19	-43.61	2	4	1	56	264.271	4	↓ MOL2 SDF SMILES Flexibase

62872223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethyl-3-piperidyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-[(3R)-3-ethyl-3-piperidyl]-3-(…

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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)	1.90	4.18	-42.9	2	4	1	56	264.271	4	↓ MOL2 SDF SMILES Flexibase

62872224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-propyl-3-piperidyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole 5-[(3S)-3-propyl-3-piperidyl]-3-…

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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)	2.46	4.95	-44	2	4	1	56	278.298	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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