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ZINC Item

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52814211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chloro-6-methyl-pyrimidin-4-yl)thiomorpholine 4-(2-chloro-6-methyl-pyrimidin-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)	2.06	6.39	-7.03	0	3	0	29	229.736	1	↓ MOL2 SDF SMILES Flexibase

52835791

Analogs

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Popular Name: 4-(6-chloro-2-methyl-pyrimidin-4-yl)thiomorpholine 4-(6-chloro-2-methyl-pyrimidin-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)	1.73	6.35	-5.33	0	3	0	29	229.736	1	↓ MOL2 SDF SMILES Flexibase

69760786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(3R)-3-methylthiomorpholin-4-yl]pyrimidin-5-amine 4-chloro-6-[(3R)-3-methylthiomor…

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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	4.5	-4.83	2	4	0	55	244.751	1	↓ MOL2 SDF SMILES Flexibase

69760787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(3S)-3-methylthiomorpholin-4-yl]pyrimidin-5-amine 4-chloro-6-[(3S)-3-methylthiomor…

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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	4.47	-4.83	2	4	0	55	244.751	1	↓ MOL2 SDF SMILES Flexibase

69762773

Analogs

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Popular Name: (3R)-4-(2-chloropyrimidin-4-yl)-3-methyl-thiomorpholine (3R)-4-(2-chloropyrimidin-4-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)	1.95	5.56	-5.92	0	3	0	29	229.736	1	↓ MOL2 SDF SMILES Flexibase

69762776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(2-chloropyrimidin-4-yl)-3-methyl-thiomorpholine (3S)-4-(2-chloropyrimidin-4-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)	1.95	5.57	-5.92	0	3	0	29	229.736	1	↓ MOL2 SDF SMILES Flexibase

69762783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(6-chloropyrimidin-4-yl)-3-methyl-thiomorpholine (3R)-4-(6-chloropyrimidin-4-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)	1.98	6.2	-3.87	0	3	0	29	229.736	1	↓ MOL2 SDF SMILES Flexibase

69762786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(6-chloropyrimidin-4-yl)-3-methyl-thiomorpholine (3S)-4-(6-chloropyrimidin-4-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)	1.98	6.21	-3.83	0	3	0	29	229.736	1	↓ MOL2 SDF SMILES Flexibase

69762787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-3-methyl-thiomorpholine (3S)-4-(2-chloro-6-methyl-pyrimi…

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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)	2.39	6.19	-5.7	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69762791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-3-methyl-thiomorpholine (3R)-4-(2-chloro-6-methyl-pyrimi…

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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)	2.39	6.18	-5.7	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69762794

Analogs

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Popular Name: (3S)-4-(6-chloro-5-methyl-pyrimidin-4-yl)-3-methyl-thiomorpholine (3S)-4-(6-chloro-5-methyl-pyrimi…

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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)	2.35	7.07	-4.43	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69762795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(6-chloro-5-methyl-pyrimidin-4-yl)-3-methyl-thiomorpholine (3R)-4-(6-chloro-5-methyl-pyrimi…

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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)	2.35	7.29	-4.44	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69762800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(6-chloro-2,5-dimethyl-pyrimidin-4-yl)-3-methyl-thiomorpholine (3S)-4-(6-chloro-2,5-dimethyl-py…

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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)	2.44	7.02	-4.66	0	3	0	29	257.79	1	↓ MOL2 SDF SMILES Flexibase

69762801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(6-chloro-2,5-dimethyl-pyrimidin-4-yl)-3-methyl-thiomorpholine (3R)-4-(6-chloro-2,5-dimethyl-py…

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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)	2.44	7.24	-4.65	0	3	0	29	257.79	1	↓ MOL2 SDF SMILES Flexibase

69762808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(6-chloro-5-ethyl-pyrimidin-4-yl)-3-methyl-thiomorpholine (3S)-4-(6-chloro-5-ethyl-pyrimid…

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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)	2.82	7.48	-3.78	0	3	0	29	257.79	2	↓ MOL2 SDF SMILES Flexibase

69762811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(6-chloro-5-ethyl-pyrimidin-4-yl)-3-methyl-thiomorpholine (3R)-4-(6-chloro-5-ethyl-pyrimid…

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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)	2.82	7.84	-4.23	0	3	0	29	257.79	2	↓ MOL2 SDF SMILES Flexibase

69762814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-3-methyl-thiomorpholine (3S)-4-(6-chloro-2-methyl-pyrimi…

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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)	2.06	6.15	-3.93	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69762817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-3-methyl-thiomorpholine (3R)-4-(6-chloro-2-methyl-pyrimi…

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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)	2.06	6.14	-3.92	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69908409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]pyrimidin-5-amine 4-chloro-6-[(2S,6R)-2,6-dimethyl…

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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)	1.78	5.75	-4.86	2	4	0	55	258.778	1	↓ MOL2 SDF SMILES Flexibase

69908410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]pyrimidin-5-amine 4-chloro-6-[(2S,6S)-2,6-dimethyl…

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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)	1.78	6.22	-4.32	2	4	0	55	258.778	1	↓ MOL2 SDF SMILES Flexibase

69908411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]pyrimidin-5-amine 4-chloro-6-[(2R,6R)-2,6-dimethyl…

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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)	1.78	6.2	-4.32	2	4	0	55	258.778	1	↓ MOL2 SDF SMILES Flexibase

69910212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-4-(2-chloropyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2S,6R)-4-(2-chloropyrimidin-4-y…

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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)	2.35	7.13	-6.74	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69910213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-4-(2-chloropyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2S,6S)-4-(2-chloropyrimidin-4-y…

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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)	2.35	7.39	-6.78	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69910214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-4-(2-chloropyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2R,6R)-4-(2-chloropyrimidin-4-y…

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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)	2.35	7.39	-6.35	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69910215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-4-(6-chloropyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2S,6R)-4-(6-chloropyrimidin-4-y…

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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)	2.37	7.78	-4.83	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69910216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-4-(6-chloropyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2S,6S)-4-(6-chloropyrimidin-4-y…

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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)	2.37	8.03	-4.74	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69910218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-4-(6-chloropyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2R,6R)-4-(6-chloropyrimidin-4-y…

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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)	2.37	8.03	-4.55	0	3	0	29	243.763	1	↓ MOL2 SDF SMILES Flexibase

69910219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2S,6R)-4-(2-chloro-6-methyl-pyr…

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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)	2.79	7.76	-6.7	0	3	0	29	257.79	1	↓ MOL2 SDF SMILES Flexibase

69910220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2R,6R)-4-(2-chloro-6-methyl-pyr…

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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)	2.79	7.99	-6.32	0	3	0	29	257.79	1	↓ MOL2 SDF SMILES Flexibase

69910221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2S,6S)-4-(2-chloro-6-methyl-pyr…

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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)	2.79	7.98	-6.76	0	3	0	29	257.79	1	↓ MOL2 SDF SMILES Flexibase

69910223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-4-(6-chloro-5-methyl-pyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2S,6R)-4-(6-chloro-5-methyl-pyr…

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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)	2.75	8.38	-4.5	0	3	0	29	257.79	1	↓ MOL2 SDF SMILES Flexibase

69910224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-4-(6-chloro-5-methyl-pyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2R,6R)-4-(6-chloro-5-methyl-pyr…

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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)	2.75	8.88	-3.93	0	3	0	29	257.79	1	↓ MOL2 SDF SMILES Flexibase

69910225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-4-(6-chloro-5-methyl-pyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2S,6S)-4-(6-chloro-5-methyl-pyr…

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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)	2.75	8.79	-3.93	0	3	0	29	257.79	1	↓ MOL2 SDF SMILES Flexibase

69910244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2S,6R)-4-(6-chloro-2-methyl-pyr…

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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	7.72	-4.97	0	3	0	29	257.79	1	↓ MOL2 SDF SMILES Flexibase

69910246

Analogs

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Popular Name: (2R,6R)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2R,6R)-4-(6-chloro-2-methyl-pyr…

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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	7.95	-4.73	0	3	0	29	257.79	1	↓ MOL2 SDF SMILES Flexibase

69910247

Analogs

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Popular Name: (2S,6S)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2,6-dimethyl-thiomorpholine (2S,6S)-4-(6-chloro-2-methyl-pyr…

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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	7.94	-4.95	0	3	0	29	257.79	1	↓ MOL2 SDF SMILES Flexibase

41527674

Analogs

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Popular Name: 4-methylsulfanyl-6-thiomorpholino-pyrimidine-5-carbonitrile 4-methylsulfanyl-6-thiomorpholin…

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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	7.33	-5.88	0	4	0	53	252.368	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 23327
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 = 23327 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<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', {
        "ring.id": "23327"        

    });
</script>

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