ZINC 12

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ZINC Item

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49628171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-hydroxyprop-1-ynyl)-3-pyridyl]-morpholino-methanone [5-(3-hydroxyprop-1-ynyl)-3-pyri…

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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)	-0.94	0.9	-11.3	1	5	0	63	246.266	1	↓ MOL2 SDF SMILES Flexibase

49628172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-hydroxybut-1-ynyl)-3-pyridyl]-morpholino-methanone [5-(4-hydroxybut-1-ynyl)-3-pyrid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.67	1.67	-9.94	1	5	0	63	260.293	2	↓ MOL2 SDF SMILES Flexibase

49628211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2S,6R)-2,6-dimethylmorpholin-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)	-0.21	2.53	-10.46	1	5	0	63	274.32	1	↓ MOL2 SDF SMILES Flexibase

49628212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2S,6S)-2,6-dimethylmorpholin-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)	-0.21	2.67	-10.53	1	5	0	63	274.32	1	↓ MOL2 SDF SMILES Flexibase

49628213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2R,6R)-2,6-dimethylmorpholin-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)	-0.21	2.7	-10.55	1	5	0	63	274.32	1	↓ MOL2 SDF SMILES Flexibase

49628214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone [(2S,6R)-2,6-dimethylmorpholin-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)	0.06	3.3	-8.86	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone [(2S,6S)-2,6-dimethylmorpholin-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)	0.06	3.44	-8.76	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone [(2R,6R)-2,6-dimethylmorpholin-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)	0.06	3.47	-8.78	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-hydroxyprop-1-ynyl)-3-pyridyl]-[(2R)-2-methylmorpholin-4-yl]methanone [5-(3-hydroxyprop-1-ynyl)-3-pyri…

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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)	-0.57	1.78	-10.84	1	5	0	63	260.293	1	↓ MOL2 SDF SMILES Flexibase

49628226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-hydroxyprop-1-ynyl)-3-pyridyl]-[(2S)-2-methylmorpholin-4-yl]methanone [5-(3-hydroxyprop-1-ynyl)-3-pyri…

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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)	-0.57	1.78	-10.66	1	5	0	63	260.293	1	↓ MOL2 SDF SMILES Flexibase

49628227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-hydroxybut-1-ynyl)-3-pyridyl]-[(2R)-2-methylmorpholin-4-yl]methanone [5-(4-hydroxybut-1-ynyl)-3-pyrid…

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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	2.55	-9.17	1	5	0	63	274.32	2	↓ MOL2 SDF SMILES Flexibase

49628228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-hydroxybut-1-ynyl)-3-pyridyl]-[(2S)-2-methylmorpholin-4-yl]methanone [5-(4-hydroxybut-1-ynyl)-3-pyrid…

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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	2.54	-9.08	1	5	0	63	274.32	2	↓ MOL2 SDF SMILES Flexibase

49628523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,2-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone (2,2-dimethylmorpholin-4-yl)-[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)	-0.13	2.6	-10.12	1	5	0	63	274.32	1	↓ MOL2 SDF SMILES Flexibase

49628524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone (2,2-dimethylmorpholin-4-yl)-[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)	0.14	3.38	-8.81	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethylmorpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(3R)-3-ethylmorpholin-4-yl]-[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)	-0.07	2.12	-11.23	1	5	0	63	274.32	2	↓ MOL2 SDF SMILES Flexibase

49628530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethylmorpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(3S)-3-ethylmorpholin-4-yl]-[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)	-0.07	2.12	-10.48	1	5	0	63	274.32	2	↓ MOL2 SDF SMILES Flexibase

49628531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-ethylmorpholin-4-yl]-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone [(3R)-3-ethylmorpholin-4-yl]-[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)	0.20	2.89	-8.85	1	5	0	63	288.347	3	↓ MOL2 SDF SMILES Flexibase

49628532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-3-ethylmorpholin-4-yl]-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone [(3S)-3-ethylmorpholin-4-yl]-[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)	0.20	2.88	-9.28	1	5	0	63	288.347	3	↓ MOL2 SDF SMILES Flexibase

49628574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-hydroxyprop-1-ynyl)-3-pyridyl]-[(3R)-3-methylmorpholin-4-yl]methanone [5-(3-hydroxyprop-1-ynyl)-3-pyri…

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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	1.5	-10.65	1	5	0	63	260.293	1	↓ MOL2 SDF SMILES Flexibase

49628575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3-hydroxyprop-1-ynyl)-3-pyridyl]-[(3S)-3-methylmorpholin-4-yl]methanone [5-(3-hydroxyprop-1-ynyl)-3-pyri…

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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	1.51	-10.46	1	5	0	63	260.293	1	↓ MOL2 SDF SMILES Flexibase

49628576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-hydroxybut-1-ynyl)-3-pyridyl]-[(3R)-3-methylmorpholin-4-yl]methanone [5-(4-hydroxybut-1-ynyl)-3-pyrid…

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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)	-0.34	2.28	-9.38	1	5	0	63	274.32	2	↓ MOL2 SDF SMILES Flexibase

49628577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(4-hydroxybut-1-ynyl)-3-pyridyl]-[(3S)-3-methylmorpholin-4-yl]methanone [5-(4-hydroxybut-1-ynyl)-3-pyrid…

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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)	-0.34	2.28	-9.15	1	5	0	63	274.32	2	↓ MOL2 SDF SMILES Flexibase

49628578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-2,5-dimethylmorpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2R,5R)-2,5-dimethylmorpholin-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)	-0.24	2.54	-9.98	1	5	0	63	274.32	1	↓ MOL2 SDF SMILES Flexibase

49628579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-2,5-dimethylmorpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2S,5R)-2,5-dimethylmorpholin-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)	-0.24	2.24	-11.02	1	5	0	63	274.32	1	↓ MOL2 SDF SMILES Flexibase

49628580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2R,5S)-2,5-dimethylmorpholin-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)	-0.24	2.26	-10.15	1	5	0	63	274.32	1	↓ MOL2 SDF SMILES Flexibase

49628581

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-2,5-dimethylmorpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2S,5S)-2,5-dimethylmorpholin-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)	-0.24	2.55	-10.45	1	5	0	63	274.32	1	↓ MOL2 SDF SMILES Flexibase

49628582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-2,5-dimethylmorpholin-4-yl]-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone [(2R,5R)-2,5-dimethylmorpholin-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)	0.03	3.31	-9.05	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-2,5-dimethylmorpholin-4-yl]-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone [(2S,5R)-2,5-dimethylmorpholin-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)	0.03	3	-8.71	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-2,5-dimethylmorpholin-4-yl]-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone [(2R,5S)-2,5-dimethylmorpholin-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)	0.03	3.03	-8.84	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-2,5-dimethylmorpholin-4-yl]-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone [(2S,5S)-2,5-dimethylmorpholin-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)	0.03	3.32	-8.88	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-ethylmorpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2R)-2-ethylmorpholin-4-yl]-[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)	-0.07	2.61	-10.62	1	5	0	63	274.32	2	↓ MOL2 SDF SMILES Flexibase

49628599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-ethylmorpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2S)-2-ethylmorpholin-4-yl]-[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)	-0.07	2.61	-10.57	1	5	0	63	274.32	2	↓ MOL2 SDF SMILES Flexibase

49628600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-ethylmorpholin-4-yl]-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone [(2R)-2-ethylmorpholin-4-yl]-[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)	0.20	3.38	-8.98	1	5	0	63	288.347	3	↓ MOL2 SDF SMILES Flexibase

49628601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-ethylmorpholin-4-yl]-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone [(2S)-2-ethylmorpholin-4-yl]-[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)	0.20	3.38	-8.99	1	5	0	63	288.347	3	↓ MOL2 SDF SMILES Flexibase

49628744

Analogs

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Popular Name: [(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2R,5R)-5-ethyl-2-methyl-morpho…

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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)	0.29	3.51	-9.95	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2R,5S)-5-ethyl-2-methyl-morpho…

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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)	0.29	2.86	-10.98	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2S,5R)-5-ethyl-2-methyl-morpho…

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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)	0.29	2.87	-10.37	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone [(2S,5S)-5-ethyl-2-methyl-morpho…

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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)	0.29	3.53	-10.17	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49628754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,3-dimethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone (3,3-dimethylmorpholin-4-yl)-[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)	-0.13	2.18	-11.16	1	5	0	63	274.32	1	↓ MOL2 SDF SMILES Flexibase

49628755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,3-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone (3,3-dimethylmorpholin-4-yl)-[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)	0.14	2.94	-8.79	1	5	0	63	288.347	2	↓ MOL2 SDF SMILES Flexibase

49629042

Analogs

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Popular Name: (E)-3-[5-(2,2-dimethylmorpholine-4-carbonyl)-3-pyridyl]prop-2-enoic (E)-3-[5-(2,2-dimethylmorpholine…

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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	5.63	-46.34	0	6	-1	83	289.311	3	↓ MOL2 SDF SMILES Flexibase

49629045

Analogs

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Popular Name: (E)-3-[5-[(3R)-3-ethylmorpholine-4-carbonyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(3R)-3-ethylmorpholine…

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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)	0.15	5.15	-49.54	0	6	-1	83	289.311	4	↓ MOL2 SDF SMILES Flexibase

49629046

Analogs

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Popular Name: (E)-3-[5-[(3S)-3-ethylmorpholine-4-carbonyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(3S)-3-ethylmorpholine…

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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)	0.15	5.15	-49.63	0	6	-1	83	289.311	4	↓ MOL2 SDF SMILES Flexibase

49629062

Analogs

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Popular Name: (E)-3-[5-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(3R)-3-methylmorpholin…

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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)	-0.38	4.53	-49.76	0	6	-1	83	275.284	3	↓ MOL2 SDF SMILES Flexibase

49629063

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[(3S)-3-methylmorpholine-4-carbonyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(3S)-3-methylmorpholin…

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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)	-0.38	4.54	-49.38	0	6	-1	83	275.284	3	↓ MOL2 SDF SMILES Flexibase

49629064

Analogs

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Popular Name: (E)-3-[5-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(2R,5R)-2,5-dimethylmo…

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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)	-0.02	5.57	-46.32	0	6	-1	83	289.311	3	↓ MOL2 SDF SMILES Flexibase

49629065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(2S,5R)-2,5-dimethylmo…

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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)	-0.02	5.27	-49.24	0	6	-1	83	289.311	3	↓ MOL2 SDF SMILES Flexibase

49629066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(2R,5S)-2,5-dimethylmo…

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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)	-0.02	5.29	-49.07	0	6	-1	83	289.311	3	↓ MOL2 SDF SMILES Flexibase

49629067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[(2S,5S)-2,5-dimethylmorpholine-4-carbonyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(2S,5S)-2,5-dimethylmo…

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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)	-0.02	5.58	-46.53	0	6	-1	83	289.311	3	↓ MOL2 SDF SMILES Flexibase

49629074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[5-[(2R)-2-ethylmorpholine-4-carbonyl]-3-pyridyl]prop-2-enoic (E)-3-[5-[(2R)-2-ethylmorpholine…

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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)	0.15	5.64	-46.75	0	6	-1	83	289.311	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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