ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

58310295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]propanamide (2S)-2-[(3S)-3-[3-(3-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	4.05	-44.04	3	6	1	86	319.36	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.21	1.81	-12.81	2	6	0	85	318.352	4	↓ MOL2 SDF SMILES Flexibase

58310297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]propanamide (2R)-2-[(3S)-3-[3-(3-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	4.09	-45.64	3	6	1	86	319.36	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.21	2.04	-13.21	2	6	0	85	318.352	4	↓ MOL2 SDF SMILES Flexibase

58315683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]propanamide (2S)-2-[(3S)-3-[3-(4-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	4.06	-42.93	3	6	1	86	319.36	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.23	1.8	-10.9	2	6	0	85	318.352	4	↓ MOL2 SDF SMILES Flexibase

58315684

Analogs

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Popular Name: (2R)-2-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]propanamide (2R)-2-[(3S)-3-[3-(4-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	4.08	-44.46	3	6	1	86	319.36	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.23	2.04	-11.71	2	6	0	85	318.352	4	↓ MOL2 SDF SMILES Flexibase

58332093

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	6.79	-46.96	2	6	1	72	347.414	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.07	4.62	-11.43	1	6	0	71	346.406	6	↓ MOL2 SDF SMILES Flexibase

58332096

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	6.79	-46.94	2	6	1	72	347.414	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.07	4.63	-11.41	1	6	0	71	346.406	6	↓ MOL2 SDF SMILES Flexibase

58332779

Analogs

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Popular Name: N-carbamoyl-2-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-carbamoyl-2-[(3R)-3-[3-(3-fluo…

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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)	1.47	3.89	-58.56	4	8	1	116	348.358	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.47	1.74	-21.55	3	8	0	114	347.35	4	↓ MOL2 SDF SMILES Flexibase

58332781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-carbamoyl-2-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-carbamoyl-2-[(3S)-3-[3-(3-fluo…

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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)	1.47	3.89	-58.56	4	8	1	116	348.358	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.47	1.74	-21.54	3	8	0	114	347.35	4	↓ MOL2 SDF SMILES Flexibase

58343069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-carbamoyl-2-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-carbamoyl-2-[(3R)-3-[3-(4-fluo…

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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)	1.50	3.88	-58.77	4	8	1	116	348.358	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.50	1.74	-20.46	3	8	0	114	347.35	4	↓ MOL2 SDF SMILES Flexibase

58343070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-carbamoyl-2-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-carbamoyl-2-[(3S)-3-[3-(4-fluo…

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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)	1.50	3.88	-58.74	4	8	1	116	348.358	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.50	1.73	-20.43	3	8	0	114	347.35	4	↓ MOL2 SDF SMILES Flexibase

58344180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-allyl-2-[(3S)-3-[3-(4-fluoroph…

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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)	2.86	6.58	-45.66	2	6	1	72	345.398	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.86	4.41	-9.8	1	6	0	71	344.39	6	↓ MOL2 SDF SMILES Flexibase

58344181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-allyl-2-[(3R)-3-[3-(4-fluoroph…

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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)	2.86	6.57	-45.66	2	6	1	72	345.398	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.86	4.41	-9.86	1	6	0	71	344.39	6	↓ MOL2 SDF SMILES Flexibase

58344185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-allyl-2-[(3S)-3-[3-(3-fluoroph…

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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)	2.84	6.57	-46.91	2	6	1	72	345.398	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.84	4.41	-11.26	1	6	0	71	344.39	6	↓ MOL2 SDF SMILES Flexibase

58344186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]acetamide N-allyl-2-[(3R)-3-[3-(3-fluoroph…

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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)	2.84	6.58	-46.9	2	6	1	72	345.398	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.84	4.41	-11.29	1	6	0	71	344.39	6	↓ MOL2 SDF SMILES Flexibase

4889798

Analogs

4889800
4889872
4889876
4954929
4954932

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]heptan-1-one 1-[3-[3-(4-fluorophenyl)-1,2,4-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.89	0.65	-11.68	0	5	0	59	359.445	7	↓ MOL2 SDF SMILES Flexibase

4889800

Analogs

4889872
4889876
4954929
4954932
5096913

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]heptan-1-one 1-[3-[3-(4-fluorophenyl)-1,2,4-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.89	0.65	-11.68	0	5	0	59	359.445	7	↓ MOL2 SDF SMILES Flexibase

4890009

Analogs

4890012
4924499
4924505
5096913
5096914

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]pentan-1-one 1-[3-[3-(4-isopropylphenyl)-1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.22	0.47	-12.58	0	5	0	59	355.482	6	↓ MOL2 SDF SMILES Flexibase

4890012

Analogs

4924499
4924505
5096913
5096914
6322389

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]pentan-1-one 1-[3-[3-(4-isopropylphenyl)-1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.22	0.46	-12.62	0	5	0	59	355.482	6	↓ MOL2 SDF SMILES Flexibase

4890124

Analogs

4890126
1360373
1360377

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Popular Name: 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]pentan-1-one 1-[3-[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)	3.75	7.37	-15.27	0	6	0	68	343.427	6	↓ MOL2 SDF SMILES Flexibase

4890126

Analogs

4454927
4454928

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]pentan-1-one 1-[3-[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)	3.75	-0.32	-14.74	0	6	0	68	343.427	6	↓ MOL2 SDF SMILES Flexibase

4890169

Analogs

4890171
4890173
4890176
4590725
4590729

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]hexan-1-one 1-[3-[3-(4-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)	4.28	8.15	-13.65	0	6	0	68	357.454	7	↓ MOL2 SDF SMILES Flexibase

4890171

Analogs

4890173
4890176
4590725
4590729

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]hexan-1-one 1-[3-[3-(4-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)	4.28	8.17	-13.72	0	6	0	68	357.454	7	↓ MOL2 SDF SMILES Flexibase

4890173

Analogs

4890176
4590725
4590729

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]heptan-1-one 1-[3-[3-(4-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)	4.78	-0.06	-13.27	0	6	0	68	371.481	8	↓ MOL2 SDF SMILES Flexibase

4890176

Analogs

4590725
4590729

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]heptan-1-one 1-[3-[3-(4-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)	4.78	-0.07	-13.28	0	6	0	68	371.481	8	↓ MOL2 SDF SMILES Flexibase

4890319

Analogs

4890323
4890326
4890329

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	0.14	-15.09	0	7	0	77	387.48	8	↓ MOL2 SDF SMILES Flexibase

4890323

Analogs

4890326
4890329
4890319

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	0.15	-15.15	0	7	0	77	387.48	8	↓ MOL2 SDF SMILES Flexibase

4890326

Analogs

4890329
42164140
42164141
4890319
4890323

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	0.26	-15.13	0	7	0	77	401.507	9	↓ MOL2 SDF SMILES Flexibase

4890329

Analogs

42164140
42164141
4890319
4890323

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	0.27	-15.18	0	7	0	77	401.507	9	↓ MOL2 SDF SMILES Flexibase

62790686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-[(3R)-3-piperidyl]-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)	2.62	5.07	-47.43	2	4	1	56	282.726	2	↓ MOL2 SDF SMILES Flexibase

62790687

Analogs

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Popular Name: 3-(3-chloro-4-fluoro-phenyl)-5-[(3S)-3-piperidyl]-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)	2.62	5.07	-47.41	2	4	1	56	282.726	2	↓ MOL2 SDF SMILES Flexibase

62871627

Analogs

12114634

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

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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)	3.16	5.54	-41.76	2	4	1	56	278.763	2	↓ MOL2 SDF SMILES Flexibase

62871628

Analogs

12114634

Draw Identity 99% 90% 80% 70%

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

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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)	3.16	5.54	-41.76	2	4	1	56	278.763	2	↓ MOL2 SDF SMILES Flexibase

62871629

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.48	6.88	-42.03	2	4	1	56	292.79	3	↓ MOL2 SDF SMILES Flexibase

62871630

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.48	6.88	-42.05	2	4	1	56	292.79	3	↓ MOL2 SDF SMILES Flexibase

62871631

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.04	7.64	-42.34	2	4	1	56	306.817	4	↓ MOL2 SDF SMILES Flexibase

62871632

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.04	7.64	-42.33	2	4	1	56	306.817	4	↓ MOL2 SDF SMILES Flexibase

62871645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-methyl-3-piperidyl]-3-(p-tolyl)-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)	2.93	5.69	-41.54	2	4	1	56	258.345	2	↓ MOL2 SDF SMILES Flexibase

62871646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-methyl-3-piperidyl]-3-(p-tolyl)-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)	2.93	5.69	-41.55	2	4	1	56	258.345	2	↓ MOL2 SDF SMILES Flexibase

62871651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethyl-3-piperidyl]-3-(p-tolyl)-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)	3.25	7.03	-41.86	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62871652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethyl-3-piperidyl]-3-(p-tolyl)-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)	3.25	7.03	-41.82	2	4	1	56	272.372	3	↓ MOL2 SDF SMILES Flexibase

62871653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-propyl-3-piperidyl]-3-(p-tolyl)-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)	3.81	7.79	-42.07	2	4	1	56	286.399	4	↓ MOL2 SDF SMILES Flexibase

62871654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-propyl-3-piperidyl]-3-(p-tolyl)-1,2,4-oxadiazole 5-[(3R)-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)	3.81	7.8	-42.07	2	4	1	56	286.399	4	↓ MOL2 SDF SMILES Flexibase

62871753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride 3-methyl-3-(3-phenyl-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)	2.48	5.02	-41.7	2	4	1	56	244.318	2	↓ MOL2 SDF SMILES Flexibase

62871754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride 3-methyl-3-(3-phenyl-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)	2.48	5.02	-41.69	2	4	1	56	244.318	2	↓ MOL2 SDF SMILES Flexibase

62871757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethyl-3-piperidyl]-3-phenyl-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)	2.80	6.35	-41.94	2	4	1	56	258.345	3	↓ MOL2 SDF SMILES Flexibase

62871758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethyl-3-piperidyl]-3-phenyl-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)	2.80	6.35	-41.95	2	4	1	56	258.345	3	↓ MOL2 SDF SMILES Flexibase

62871761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-5-[(3S)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-phenyl-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)	3.36	7.12	-42.18	2	4	1	56	272.372	4	↓ MOL2 SDF SMILES Flexibase

62871762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-5-[(3R)-3-propyl-3-piperidyl]-1,2,4-oxadiazole 3-phenyl-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)	3.36	7.12	-42.23	2	4	1	56	272.372	4	↓ MOL2 SDF SMILES Flexibase

62871793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-methyl-3-piperidyl]-3-(o-tolyl)-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)	2.88	5.53	-41.81	2	4	1	56	258.345	2	↓ MOL2 SDF SMILES Flexibase

62871794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-methyl-3-piperidyl]-3-(o-tolyl)-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)	2.88	5.53	-41.91	2	4	1	56	258.345	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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