ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

54668083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-tert-butylcyclohexyl)-3-(chloromethyl)-1,2,4-oxadiazole 5-(4-tert-butylcyclohexyl)-3-(ch…

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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)	3.60	6.33	-5.11	0	3	0	39	256.777	3	↓ MOL2 SDF SMILES Flexibase

54668225

Analogs

15417227

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine [5-(4-tert-butylcyclohexyl)-1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	3.14	-44.47	3	4	1	67	238.355	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.21	2.74	-5.28	2	4	0	65	237.347	3	↓ MOL2 SDF SMILES Flexibase

54668226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine (1S)-1-[5-(4-tert-butylcyclohexy…

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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)	0.89	3.67	-41.48	3	4	1	67	252.382	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.89	3.36	-5.27	2	4	0	65	251.374	3	↓ MOL2 SDF SMILES Flexibase

54668227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine (1R)-1-[5-(4-tert-butylcyclohexy…

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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)	0.89	3.67	-41.47	3	4	1	67	252.382	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.89	3.3	-5.64	2	4	0	65	251.374	3	↓ MOL2 SDF SMILES Flexibase

54668228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1S)-1-[5-(4-tert-butylcyclohexy…

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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)	1.39	4.48	-40.2	3	4	1	67	266.409	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.39	4.16	-5.02	2	4	0	65	265.401	4	↓ MOL2 SDF SMILES Flexibase

54668230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (1R)-1-[5-(4-tert-butylcyclohexy…

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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)	1.39	4.48	-40.17	3	4	1	67	266.409	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.39	4.19	-3.78	2	4	0	65	265.401	4	↓ MOL2 SDF SMILES Flexibase

54668232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (1S)-1-[5-(4-tert-butylcyclohexy…

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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	5.25	-41.26	3	4	1	67	280.436	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.95	4.93	-4.99	2	4	0	65	279.428	5	↓ MOL2 SDF SMILES Flexibase

54668234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-1-amine (1R)-1-[5-(4-tert-butylcyclohexy…

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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	5.25	-41.25	3	4	1	67	280.436	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.95	4.96	-3.7	2	4	0	65	279.428	5	↓ MOL2 SDF SMILES Flexibase

54668236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-methyl-propan-1-amine (1S)-1-[5-(4-tert-butylcyclohexy…

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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	4.74	-40.61	3	4	1	67	280.436	4	↓ MOL2 SDF SMILES Flexibase

54668238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-methyl-propan-1-amine (1R)-1-[5-(4-tert-butylcyclohexy…

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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	5.21	-40.09	3	4	1	67	280.436	4	↓ MOL2 SDF SMILES Flexibase

54668240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethyl-propan-1-amine (1R)-1-[5-(4-tert-butylcyclohexy…

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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	5.34	-40.48	3	4	1	67	294.463	4	↓ MOL2 SDF SMILES Flexibase

54668241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethyl-propan-1-amine (1S)-1-[5-(4-tert-butylcyclohexy…

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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	5.33	-40.45	3	4	1	67	294.463	4	↓ MOL2 SDF SMILES Flexibase

54668244

Analogs

41151303

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-(4-tert-butylcyclohexyl)-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)	3.21	4.17	-40.75	3	4	1	67	266.409	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.21	3.93	-5.37	2	4	0	65	265.401	3	↓ MOL2 SDF SMILES Flexibase

54668245

Analogs

41151735
41152516
41152519

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine 3-[5-(4-tert-butylcyclohexyl)-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)	4.22	5.73	-40.3	3	4	1	67	294.463	5	↓ MOL2 SDF SMILES Flexibase

54668246

Analogs

41151735
41152516
41152519

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2S)-2-[5-(4-tert-butylcyclohexy…

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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)	3.71	5	-39.69	3	4	1	67	280.436	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.71	4.76	-3.81	2	4	0	65	279.428	4	↓ MOL2 SDF SMILES Flexibase

54668247

Analogs

41151735
41152516
41152519

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2R)-2-[5-(4-tert-butylcyclohexy…

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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)	3.71	4.61	-38.8	3	4	1	67	280.436	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.71	4.36	-5.95	2	4	0	65	279.428	4	↓ MOL2 SDF SMILES Flexibase

54668250

Analogs

8729407
41201708

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine 2-[5-(4-tert-butylcyclohexyl)-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)	2.01	3.85	-47.24	3	4	1	67	252.382	4	↓ MOL2 SDF SMILES Flexibase

54668251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-methyl-methanamine 1-[5-(4-tert-butylcyclohexyl)-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)	2.58	5.01	-38.89	2	4	1	56	252.382	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.58	3.57	-5.03	1	4	0	51	251.374	4	↓ MOL2 SDF SMILES Flexibase

54668253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-methyl-ethanamine 2-[5-(4-tert-butylcyclohexyl)-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)	2.99	5.73	-42.21	2	4	1	56	266.409	5	↓ MOL2 SDF SMILES Flexibase

54668254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine N-[[5-(4-tert-butylcyclohexyl)-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)	2.96	5.87	-37.87	2	4	1	56	266.409	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.96	4.5	-4.89	1	4	0	51	265.401	5	↓ MOL2 SDF SMILES Flexibase

54668255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine N-[[5-(4-tert-butylcyclohexyl)-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)	3.25	6.4	-36.01	2	4	1	56	280.436	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.25	5.18	-4.75	1	4	0	51	279.428	5	↓ MOL2 SDF SMILES Flexibase

54668257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-1-amine 3-[5-(4-tert-butylcyclohexyl)-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)	2.28	4.63	-46.67	3	4	1	67	266.409	5	↓ MOL2 SDF SMILES Flexibase

54668258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (2S)-2-[5-(4-tert-butylcyclohexy…

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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)	2.33	4.33	-46.9	3	4	1	67	266.409	4	↓ MOL2 SDF SMILES Flexibase

54668259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (2R)-2-[5-(4-tert-butylcyclohexy…

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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)	2.33	4.33	-46.98	3	4	1	67	266.409	4	↓ MOL2 SDF SMILES Flexibase

54668260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (2S)-1-[5-(4-tert-butylcyclohexy…

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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	4.57	-40.27	3	4	1	67	266.409	4	↓ MOL2 SDF SMILES Flexibase

54668262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (2R)-1-[5-(4-tert-butylcyclohexy…

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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	4.45	-37.98	3	4	1	67	266.409	4	↓ MOL2 SDF SMILES Flexibase

54668264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2S)-1-[5-(4-tert-butylcyclohexy…

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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)	2.94	5.38	-39.92	3	4	1	67	280.436	5	↓ MOL2 SDF SMILES Flexibase

54668265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (2R)-1-[5-(4-tert-butylcyclohexy…

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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)	2.94	5.26	-37.56	3	4	1	67	280.436	5	↓ MOL2 SDF SMILES Flexibase

68849387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexanol 4-[3-(2,2-dimethylpropyl)-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)	2.19	2.81	-6.19	1	4	0	59	238.331	3	↓ MOL2 SDF SMILES Flexibase

68849408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexanol (1S,2R)-2-[3-(2,2-dimethylpropyl…

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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	3.49	-7.39	1	4	0	59	238.331	3	↓ MOL2 SDF SMILES Flexibase

68849410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexanol (1S,2S)-2-[3-(2,2-dimethylpropyl…

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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	2.81	-7.16	1	4	0	59	238.331	3	↓ MOL2 SDF SMILES Flexibase

68849412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexanol (1R,2R)-2-[3-(2,2-dimethylpropyl…

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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	2.81	-7.24	1	4	0	59	238.331	3	↓ MOL2 SDF SMILES Flexibase

68849416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexanol (1R,2S)-2-[3-(2,2-dimethylpropyl…

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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	3.49	-7.38	1	4	0	59	238.331	3	↓ MOL2 SDF SMILES Flexibase

68849433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-cyclohexanamine (1R,2S)-2-[3-(2,2-dimethylpropyl…

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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)	3.45	5.66	-39.88	2	4	1	56	266.409	5	↓ MOL2 SDF SMILES Flexibase

68849434

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.45	5.87	-36.26	2	4	1	56	266.409	5	↓ MOL2 SDF SMILES Flexibase

68849437

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.45	5.87	-36.34	2	4	1	56	266.409	5	↓ MOL2 SDF SMILES Flexibase

68849438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-cyclohexanamine (1S,2R)-2-[3-(2,2-dimethylpropyl…

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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)	3.45	5.66	-39.9	2	4	1	56	266.409	5	↓ MOL2 SDF SMILES Flexibase

68849487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-propyl-cyclohexanamine 4-[3-(2,2-dimethylpropyl)-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)	3.48	6.43	-39.64	2	4	1	56	280.436	6	↓ MOL2 SDF SMILES Flexibase

68849520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methyl-cyclohexanamine 4-[3-(2,2-dimethylpropyl)-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)	2.60	5.09	-45.07	2	4	1	56	252.382	4	↓ MOL2 SDF SMILES Flexibase

68849595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methyl-cyclohexanamine (1S,2R)-2-[3-(2,2-dimethylpropyl…

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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	4.83	-40.87	2	4	1	56	252.382	4	↓ MOL2 SDF SMILES Flexibase

68849597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methyl-cyclohexanamine (1S,2S)-2-[3-(2,2-dimethylpropyl…

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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	5.05	-37.53	2	4	1	56	252.382	4	↓ MOL2 SDF SMILES Flexibase

68849599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methyl-cyclohexanamine (1R,2R)-2-[3-(2,2-dimethylpropyl…

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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	5.04	-37.43	2	4	1	56	252.382	4	↓ MOL2 SDF SMILES Flexibase

68849601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methyl-cyclohexanamine (1R,2S)-2-[3-(2,2-dimethylpropyl…

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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	4.83	-40.83	2	4	1	56	252.382	4	↓ MOL2 SDF SMILES Flexibase

68849603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-propyl-cyclohexanamine (1R,2S)-2-[3-(2,2-dimethylpropyl…

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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)	3.95	6.42	-40.53	2	4	1	56	280.436	6	↓ MOL2 SDF SMILES Flexibase

68849606

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.95	6.63	-36.79	2	4	1	56	280.436	6	↓ MOL2 SDF SMILES Flexibase

68849608

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.95	6.62	-36.93	2	4	1	56	280.436	6	↓ MOL2 SDF SMILES Flexibase

68849611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-propyl-cyclohexanamine (1S,2R)-2-[3-(2,2-dimethylpropyl…

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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)	3.95	6.43	-40.53	2	4	1	56	280.436	6	↓ MOL2 SDF SMILES Flexibase

68849653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexanamine (1S,2R)-2-[3-(2,2-dimethylpropyl…

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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)	2.16	3.1	-46.05	3	4	1	67	238.355	3	↓ MOL2 SDF SMILES Flexibase

68849654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexanamine (1S,2S)-2-[3-(2,2-dimethylpropyl…

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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)	2.16	3.31	-42.48	3	4	1	67	238.355	3	↓ MOL2 SDF SMILES Flexibase

68849656

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexanamine (1R,2R)-2-[3-(2,2-dimethylpropyl…

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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)	2.16	3.31	-42.41	3	4	1	67	238.355	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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