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ZINC Item

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54419653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidine-3-carboxamide (3S)-1-(4-amino-1,2,5-oxadiazole…

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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)	-0.82	-1.22	-9.44	4	8	0	128	239.235	2	↓ MOL2 SDF SMILES Flexibase

54419655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidine-3-carboxamide (3R)-1-(4-amino-1,2,5-oxadiazole…

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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)	-0.82	-1.18	-9.51	4	8	0	128	239.235	2	↓ MOL2 SDF SMILES Flexibase

54419662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(2R)-2-methyl-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	0.92	2.79	-4.76	2	6	0	85	210.237	1	↓ MOL2 SDF SMILES Flexibase

54419665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(2S)-2-methyl-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	0.92	2.74	-4.78	2	6	0	85	210.237	1	↓ MOL2 SDF SMILES Flexibase

54419850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(4-hydroxy-1-piperidyl)methanone (4-amino-1,2,5-oxadiazol-3-yl)-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.30	-1.15	-7.17	3	7	0	105	212.209	1	↓ MOL2 SDF SMILES Flexibase

54419852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	0.21	0.03	-7.7	3	7	0	105	240.263	3	↓ MOL2 SDF SMILES Flexibase

54419854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	0.21	0.03	-7.66	3	7	0	105	240.263	3	↓ MOL2 SDF SMILES Flexibase

54419861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(2S,6R)-2,6-dimethyl-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-yl)-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.25	2.84	-7.94	2	6	0	85	224.264	1	↓ MOL2 SDF SMILES Flexibase

54419862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(2S,6S)-2,6-dimethyl-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-yl)-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.25	3.3	-4.78	2	6	0	85	224.264	1	↓ MOL2 SDF SMILES Flexibase

54419864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(2R,6R)-2,6-dimethyl-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-yl)-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.25	3.34	-4.72	2	6	0	85	224.264	1	↓ MOL2 SDF SMILES Flexibase

54419890

Analogs

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Popular Name: methyl 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)	0.32	2.8	-9.59	2	8	0	112	254.246	3	↓ MOL2 SDF SMILES Flexibase

54419973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[4-(hydroxymethyl)-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	-0.18	-0.52	-6.75	3	7	0	105	226.236	2	↓ MOL2 SDF SMILES Flexibase

54420006

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.45	3.39	-4.61	2	6	0	85	224.264	2	↓ MOL2 SDF SMILES Flexibase

54420007

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.45	3.36	-4.55	2	6	0	85	224.264	2	↓ MOL2 SDF SMILES Flexibase

54420049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(4-methoxy-1-piperidyl)methanone (4-amino-1,2,5-oxadiazol-3-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)	-0.68	1.18	-6.36	2	7	0	94	226.236	2	↓ MOL2 SDF SMILES Flexibase

54420077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(3S)-3-hydroxy-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	-0.56	-1.22	-6.13	3	7	0	105	212.209	1	↓ MOL2 SDF SMILES Flexibase

54420079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(3R)-3-hydroxy-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	-0.56	-1.18	-6.11	3	7	0	105	212.209	1	↓ MOL2 SDF SMILES Flexibase

54420173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(2S)-2-(hydroxymethyl)-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	-0.06	0.84	-6.29	3	7	0	105	226.236	2	↓ MOL2 SDF SMILES Flexibase

54420175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(2R)-2-(hydroxymethyl)-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	-0.06	0.86	-6.34	3	7	0	105	226.236	2	↓ MOL2 SDF SMILES Flexibase

54420190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-methyl-piperidine-4-carboxamide 1-(4-amino-1,2,5-oxadiazole-3-ca…

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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)	-0.44	0.36	-12.92	3	8	0	114	253.262	2	↓ MOL2 SDF SMILES Flexibase

54420199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[4-(dimethylamino)-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	0.10	3.2	-42.29	3	7	1	90	240.287	2	↓ MOL2 SDF SMILES Flexibase

54420220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(3S)-3-(hydroxymethyl)-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	-0.18	-0.58	-7.64	3	7	0	105	226.236	2	↓ MOL2 SDF SMILES Flexibase

54420223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(3R)-3-(hydroxymethyl)-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	-0.18	-0.55	-7.65	3	7	0	105	226.236	2	↓ MOL2 SDF SMILES Flexibase

54430753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(3S)-3-(trifluoromethyl)-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-yl)-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.38	3.03	-5.74	2	6	0	85	264.207	2	↓ MOL2 SDF SMILES Flexibase

54430754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[(3R)-3-(trifluoromethyl)-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-yl)-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.38	3.07	-5.75	2	6	0	85	264.207	2	↓ MOL2 SDF SMILES Flexibase

54430919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidine-2-carboxamide (2S)-1-(4-amino-1,2,5-oxadiazole…

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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)	-0.13	-0.01	-11.62	4	8	0	128	239.235	2	↓ MOL2 SDF SMILES Flexibase

54430921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidine-2-carboxamide (2R)-1-(4-amino-1,2,5-oxadiazole…

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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)	-0.13	-0.01	-11.58	4	8	0	128	239.235	2	↓ MOL2 SDF SMILES Flexibase

54431054

Analogs

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Popular Name: methyl 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)	0.44	3.59	-9.38	2	8	0	112	254.246	3	↓ MOL2 SDF SMILES Flexibase

54431056

Analogs

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Popular Name: methyl 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)	0.44	3.55	-9.66	2	8	0	112	254.246	3	↓ MOL2 SDF SMILES Flexibase

54431094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-piperidyl]methanesulfonamide N-[1-(4-amino-1,2,5-oxadiazole-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)	-0.77	-1.9	-15.09	3	9	0	131	289.317	3	↓ MOL2 SDF SMILES Flexibase

54431203

Analogs

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Popular Name: 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N,N-dimethyl-piperidine-4-carboxamide 1-(4-amino-1,2,5-oxadiazole-3-ca…

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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)	-0.64	2.05	-13.24	2	8	0	106	267.289	2	↓ MOL2 SDF SMILES Flexibase

54431216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-methyl-piperidine-2-carboxamide (2S)-1-(4-amino-1,2,5-oxadiazole…

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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)	-0.32	1.52	-11.78	3	8	0	114	253.262	2	↓ MOL2 SDF SMILES Flexibase

54431218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-methyl-piperidine-2-carboxamide (2R)-1-(4-amino-1,2,5-oxadiazole…

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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)	-0.32	1.47	-12.26	3	8	0	114	253.262	2	↓ MOL2 SDF SMILES Flexibase

54431219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-piperidyl]methyl]methanesulfonamide N-[[(2S)-1-(4-amino-1,2,5-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)	-0.26	-0.6	-13.16	3	9	0	131	303.344	4	↓ MOL2 SDF SMILES Flexibase

54431221

Analogs

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Popular Name: N-[[(2R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2-piperidyl]methyl]methanesulfonamide N-[[(2R)-1-(4-amino-1,2,5-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)	-0.26	0.1	-13	3	9	0	131	303.344	4	↓ MOL2 SDF SMILES Flexibase

54431236

Analogs

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Popular Name: N-[(3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-piperidyl]methanesulfonamide N-[(3R)-1-(4-amino-1,2,5-oxadiaz…

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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	-1.85	-15.2	3	9	0	131	289.317	3	↓ MOL2 SDF SMILES Flexibase

54431238

Analogs

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Popular Name: N-[(3S)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-piperidyl]methanesulfonamide N-[(3S)-1-(4-amino-1,2,5-oxadiaz…

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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	-1.93	-14.16	3	9	0	131	289.317	3	↓ MOL2 SDF SMILES Flexibase

54431281

Analogs

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Popular Name: N-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-piperidyl]-2-methyl-propanamide N-[1-(4-amino-1,2,5-oxadiazole-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)	0.30	1.95	-9.56	3	8	0	114	281.316	3	↓ MOL2 SDF SMILES Flexibase

54431283

Analogs

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Popular Name: N-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-piperidyl]butanamide N-[1-(4-amino-1,2,5-oxadiazole-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)	0.61	2.09	-9.89	3	8	0	114	281.316	4	↓ MOL2 SDF SMILES Flexibase

54431299

Analogs

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Popular Name: N-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-piperidyl]-2-methoxy-acetamide N-[1-(4-amino-1,2,5-oxadiazole-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)	-0.84	0.69	-13.12	3	9	0	124	283.288	4	↓ MOL2 SDF SMILES Flexibase

54431301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-piperidyl]propanamide N-[1-(4-amino-1,2,5-oxadiazole-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)	0.05	1.28	-9.92	3	8	0	114	267.289	3	↓ MOL2 SDF SMILES Flexibase

54431303

Analogs

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Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[4-(2-ethoxyethoxy)-1-piperidyl]methanone (4-amino-1,2,5-oxadiazol-3-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)	-0.51	2.37	-8.18	2	8	0	104	284.316	6	↓ MOL2 SDF SMILES Flexibase

54431328

Analogs

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Popular Name: N-[(3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-piperidyl]acetamide N-[(3R)-1-(4-amino-1,2,5-oxadiaz…

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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)	-0.78	0.51	-13.56	3	8	0	114	253.262	2	↓ MOL2 SDF SMILES Flexibase

54431330

Analogs

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Popular Name: N-[(3S)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-piperidyl]acetamide N-[(3S)-1-(4-amino-1,2,5-oxadiaz…

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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)	-0.78	0.47	-13.61	3	8	0	114	253.262	2	↓ MOL2 SDF SMILES Flexibase

54431430

Analogs

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Popular Name: 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-ethyl-piperidine-4-carboxamide 1-(4-amino-1,2,5-oxadiazole-3-ca…

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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)	-0.06	1.14	-12.62	3	8	0	114	267.289	3	↓ MOL2 SDF SMILES Flexibase

54431439

Analogs

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Popular Name: 1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-butyl-piperidine-4-carboxamide 1-(4-amino-1,2,5-oxadiazole-3-ca…

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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)	1.00	2.68	-12.47	3	8	0	114	295.343	5	↓ MOL2 SDF SMILES Flexibase

54431454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-piperidyl]methyl]methanesulfonamide N-[[(3R)-1-(4-amino-1,2,5-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)	-0.39	-1.05	-16.03	3	9	0	131	303.344	4	↓ MOL2 SDF SMILES Flexibase

54431456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-piperidyl]methyl]methanesulfonamide N-[[(3S)-1-(4-amino-1,2,5-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)	-0.39	-1.1	-15.28	3	9	0	131	303.344	4	↓ MOL2 SDF SMILES Flexibase

54431462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)-4-piperidyl]ethanesulfonamide N-[1-(4-amino-1,2,5-oxadiazole-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)	-0.39	-1	-14.39	3	9	0	131	303.344	4	↓ MOL2 SDF SMILES Flexibase

54431467

Analogs

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Popular Name: 3-amino-4-[(3S)-3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-1,2,5-oxadiazole 3-amino-4-[(3S)-3-[(sulfamoylami…

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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)	-1.00	-3.7	-15.13	5	10	0	157	304.332	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.00	-4.07	-39.69	4	10	-1	160	303.324	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 122657 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<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', {
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