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ZINC Item

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62028836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(3-methoxypropyl)-N-methyl-6-(1-piperidyl)-1,3,5-triazin-2-amine 4-chloro-N-(3-methoxypropyl)-N-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	11.6	-7.65	0	6	0	54	299.806	6	↓ MOL2 SDF SMILES Flexibase

61450547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-piperidin-4-amine 1-(4,6-dimethoxy-1,3,5-triazin-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)	2.00	1.32	-46.27	2	7	1	77	254.314	4	↓ MOL2 SDF SMILES Flexibase

61450551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethyl-piperidin-4-amine 1-(4,6-dimethoxy-1,3,5-triazin-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)	2.38	2.16	-45.15	2	7	1	77	268.341	5	↓ MOL2 SDF SMILES Flexibase

61450553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-propyl-piperidin-4-amine 1-(4,6-dimethoxy-1,3,5-triazin-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)	2.88	2.93	-46.12	2	7	1	77	282.368	6	↓ MOL2 SDF SMILES Flexibase

61452174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]-N-methyl-methanamine 1-[(3S)-1-(4,6-dimethoxy-1,3,5-t…

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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)	2.38	2.24	-43.16	2	7	1	77	268.341	5	↓ MOL2 SDF SMILES Flexibase

61452175

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]-N-methyl-methanamine 1-[(3R)-1-(4,6-dimethoxy-1,3,5-t…

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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)	2.38	2.24	-43.15	2	7	1	77	268.341	5	↓ MOL2 SDF SMILES Flexibase

61452185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-amine (3S)-1-(4,6-dimethoxy-1,3,5-tria…

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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)	1.09	-0.39	-49.3	3	7	1	88	240.287	3	↓ MOL2 SDF SMILES Flexibase

61452187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-amine (3R)-1-(4,6-dimethoxy-1,3,5-tria…

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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)	1.09	-0.38	-49.32	3	7	1	88	240.287	3	↓ MOL2 SDF SMILES Flexibase

61452202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-piperidyl]methanamine [1-(4,6-dimethoxy-1,3,5-triazin-…

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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)	1.40	0.39	-53.13	3	7	1	88	254.314	4	↓ MOL2 SDF SMILES Flexibase

61452204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]methanamine [(3R)-1-(4,6-dimethoxy-1,3,5-tri…

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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)	1.40	0.36	-48.17	3	7	1	88	254.314	4	↓ MOL2 SDF SMILES Flexibase

61452206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]methanamine [(3S)-1-(4,6-dimethoxy-1,3,5-tri…

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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)	1.40	0.38	-48.14	3	7	1	88	254.314	4	↓ MOL2 SDF SMILES Flexibase

61452208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]methanamine [(2R)-1-(4,6-dimethoxy-1,3,5-tri…

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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	1.49	-44.69	3	7	1	88	254.314	4	↓ MOL2 SDF SMILES Flexibase

61452210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]methanamine [(2S)-1-(4,6-dimethoxy-1,3,5-tri…

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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	1.41	-44.62	3	7	1	88	254.314	4	↓ MOL2 SDF SMILES Flexibase

61452241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-piperidin-3-amine (3R)-1-(4,6-dimethoxy-1,3,5-tria…

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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)	2.00	1.3	-44.1	2	7	1	77	254.314	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.00	0.06	-7.34	1	7	0	72	253.306	4	↓ MOL2 SDF SMILES Flexibase

61452243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-piperidin-3-amine (3S)-1-(4,6-dimethoxy-1,3,5-tria…

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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)	2.00	1.3	-44.12	2	7	1	77	254.314	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.00	0.05	-7.51	1	7	0	72	253.306	4	↓ MOL2 SDF SMILES Flexibase

61452367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-ol (3S)-1-(4,6-dimethoxy-1,3,5-tria…

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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)	1.58	-0.98	-8	1	7	0	81	240.263	3	↓ MOL2 SDF SMILES Flexibase

61452369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-ol (3R)-1-(4,6-dimethoxy-1,3,5-tria…

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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)	1.58	-0.96	-7.95	1	7	0	81	240.263	3	↓ MOL2 SDF SMILES Flexibase

61452372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-ol 1-(4,6-dimethoxy-1,3,5-triazin-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)	0.85	-0.95	-9.35	1	7	0	81	240.263	3	↓ MOL2 SDF SMILES Flexibase

61452377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]methanol [(2R)-1-(4,6-dimethoxy-1,3,5-tri…

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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	1.57	-8.09	1	7	0	81	254.29	4	↓ MOL2 SDF SMILES Flexibase

61452378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]methanol [(2S)-1-(4,6-dimethoxy-1,3,5-tri…

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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	1.51	-8.04	1	7	0	81	254.29	4	↓ MOL2 SDF SMILES Flexibase

61452379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]methanol [(3S)-1-(4,6-dimethoxy-1,3,5-tri…

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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)	1.97	-0.35	-10.42	1	7	0	81	254.29	4	↓ MOL2 SDF SMILES Flexibase

61452380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]methanol [(3R)-1-(4,6-dimethoxy-1,3,5-tri…

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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)	1.97	-0.33	-10.45	1	7	0	81	254.29	4	↓ MOL2 SDF SMILES Flexibase

61452383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-piperidyl]methanol [1-(4,6-dimethoxy-1,3,5-triazin-…

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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)	1.97	-0.31	-8.63	1	7	0	81	254.29	4	↓ MOL2 SDF SMILES Flexibase

61452385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]ethanol 2-[(2R)-1-(4,6-dimethoxy-1,3,5-t…

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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)	2.36	1.46	-10.12	1	7	0	81	268.317	5	↓ MOL2 SDF SMILES Flexibase

61452388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]ethanol 2-[(2S)-1-(4,6-dimethoxy-1,3,5-t…

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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)	2.36	1.36	-10.15	1	7	0	81	268.317	5	↓ MOL2 SDF SMILES Flexibase

61452447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]ethanol 2-[(3R)-1-(4,6-dimethoxy-1,3,5-t…

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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)	2.24	0.26	-8.63	1	7	0	81	268.317	5	↓ MOL2 SDF SMILES Flexibase

61452449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]ethanol 2-[(3S)-1-(4,6-dimethoxy-1,3,5-t…

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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)	2.24	0.29	-8.61	1	7	0	81	268.317	5	↓ MOL2 SDF SMILES Flexibase

61452574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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	3.91	-8.79	0	8	0	87	296.327	6	↓ MOL2 SDF SMILES Flexibase

61452578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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	3.91	-8.81	0	8	0	87	296.327	6	↓ MOL2 SDF SMILES Flexibase

61452589

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.46	3	-11.3	0	8	0	87	282.3	5	↓ MOL2 SDF SMILES Flexibase

61452616

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.55	5.03	-11.31	0	8	0	87	296.327	6	↓ MOL2 SDF SMILES Flexibase

61452619

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.55	4.97	-11.3	0	8	0	87	296.327	6	↓ MOL2 SDF SMILES Flexibase

61452757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-piperidyl]-N-methyl-methanamine 1-[1-(4,6-dimethoxy-1,3,5-triazi…

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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)	2.38	2.26	-47.92	2	7	1	77	268.341	5	↓ MOL2 SDF SMILES Flexibase

61452763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-piperidyl]methyl]ethanamine N-[[1-(4,6-dimethoxy-1,3,5-triaz…

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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	3.13	-47.05	2	7	1	77	282.368	6	↓ MOL2 SDF SMILES Flexibase

61452765

Analogs

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Popular Name: N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-piperidyl]methyl]propan-1-amine N-[[1-(4,6-dimethoxy-1,3,5-triaz…

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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)	2.91	3.89	-48.07	2	7	1	77	296.395	7	↓ MOL2 SDF SMILES Flexibase

61452766

Analogs

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Popular Name: N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-piperidyl]methyl]propan-2-amine N-[[1-(4,6-dimethoxy-1,3,5-triaz…

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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	3.65	-45.72	2	7	1	77	296.395	6	↓ MOL2 SDF SMILES Flexibase

61452805

Analogs

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Popular Name: N-[[(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]methyl]ethanamine N-[[(3S)-1-(4,6-dimethoxy-1,3,5-…

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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)	2.41	3.09	-42.53	2	7	1	77	282.368	6	↓ MOL2 SDF SMILES Flexibase

61452809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]methyl]ethanamine N-[[(3R)-1-(4,6-dimethoxy-1,3,5-…

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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)	2.41	3.09	-42.5	2	7	1	77	282.368	6	↓ MOL2 SDF SMILES Flexibase

61452836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]methyl]ethanamine N-[[(2S)-1-(4,6-dimethoxy-1,3,5-…

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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)	2.53	4.22	-38.25	2	7	1	77	282.368	6	↓ MOL2 SDF SMILES Flexibase

61452839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]methyl]ethanamine N-[[(2R)-1-(4,6-dimethoxy-1,3,5-…

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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)	2.53	4.12	-38.04	2	7	1	77	282.368	6	↓ MOL2 SDF SMILES Flexibase

61452842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]methyl]propan-1-amine N-[[(2S)-1-(4,6-dimethoxy-1,3,5-…

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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)	3.04	4.98	-39.01	2	7	1	77	296.395	7	↓ MOL2 SDF SMILES Flexibase

61452846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]methyl]propan-1-amine N-[[(2R)-1-(4,6-dimethoxy-1,3,5-…

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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)	3.04	4.87	-38.86	2	7	1	77	296.395	7	↓ MOL2 SDF SMILES Flexibase

61452849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]methyl]propan-2-amine N-[[(2S)-1-(4,6-dimethoxy-1,3,5-…

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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)	3.18	4.75	-37.11	2	7	1	77	296.395	6	↓ MOL2 SDF SMILES Flexibase

61452854

Analogs

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Popular Name: N-[[(2R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-piperidyl]methyl]propan-2-amine N-[[(2R)-1-(4,6-dimethoxy-1,3,5-…

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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)	3.18	4.65	-36.99	2	7	1	77	296.395	6	↓ MOL2 SDF SMILES Flexibase

61452864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]methyl]propan-1-amine N-[[(3S)-1-(4,6-dimethoxy-1,3,5-…

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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)	2.91	3.84	-43.38	2	7	1	77	296.395	7	↓ MOL2 SDF SMILES Flexibase

61452869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]methyl]propan-1-amine N-[[(3R)-1-(4,6-dimethoxy-1,3,5-…

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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)	2.91	3.84	-43.38	2	7	1	77	296.395	7	↓ MOL2 SDF SMILES Flexibase

61452875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]methyl]propan-2-amine N-[[(3S)-1-(4,6-dimethoxy-1,3,5-…

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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)	3.06	3.61	-41.13	2	7	1	77	296.395	6	↓ MOL2 SDF SMILES Flexibase

61452882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-piperidyl]methyl]propan-2-amine N-[[(3R)-1-(4,6-dimethoxy-1,3,5-…

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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)	3.06	3.61	-41.06	2	7	1	77	296.395	6	↓ MOL2 SDF SMILES Flexibase

61452903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,6R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-6-methyl-3-piperidyl]methanamine [(3R,6R)-1-(4,6-dimethoxy-1,3,5-…

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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)	1.73	0.89	-48.9	3	7	1	88	268.341	4	↓ MOL2 SDF SMILES Flexibase

61452908

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,6S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-6-methyl-3-piperidyl]methanamine [(3R,6S)-1-(4,6-dimethoxy-1,3,5-…

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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)	1.73	2.01	-47.83	3	7	1	88	268.341	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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