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ZINC Item

Suppliers, Protomers, & Similar Substances

6728641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-6-morpholino-2-propyl-pyrimidine 4-methyl-6-morpholino-2-propyl-p…

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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)	1.69	4.48	-6.27	0	4	0	38	221.304	3	↓ MOL2 SDF SMILES Flexibase

35635966

Analogs

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Popular Name: 4-(2,6-Dichloropyrimidin-4-yl)morpholine 4-(2,6-Dichloropyrimidin-4-yl)mo…

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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)	2.10	3.98	-5.54	0	4	0	38	234.086	1	↓ MOL2 SDF SMILES Flexibase

48631167

Analogs

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Popular Name: (2R)-4-(6-chloropyrimidin-4-yl)-2-methyl-morpholine (2R)-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)	1.47	4.93	-5.18	0	4	0	38	213.668	1	↓ MOL2 SDF SMILES Flexibase

48631168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(6-chloropyrimidin-4-yl)-2-methyl-morpholine (2S)-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)	1.47	4.94	-5.2	0	4	0	38	213.668	1	↓ MOL2 SDF SMILES Flexibase

48631243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(6-chloropyrimidin-4-yl)-3-methyl-morpholine (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)	1.43	4.06	-4.3	0	4	0	38	213.668	1	↓ MOL2 SDF SMILES Flexibase

48631244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(6-chloropyrimidin-4-yl)-3-methyl-morpholine (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)	1.43	4.04	-4.35	0	4	0	38	213.668	1	↓ MOL2 SDF SMILES Flexibase

48631245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-4-(6-chloropyrimidin-4-yl)-2,5-dimethyl-morpholine (2R,5R)-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)	1.80	5.68	-4.94	0	4	0	38	227.695	1	↓ MOL2 SDF SMILES Flexibase

48631246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-4-(6-chloropyrimidin-4-yl)-2,5-dimethyl-morpholine (2S,5R)-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)	1.80	4.79	-4.21	0	4	0	38	227.695	1	↓ MOL2 SDF SMILES Flexibase

48631253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(6-chloropyrimidin-4-yl)-2-ethyl-morpholine (2R)-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)	1.97	5.78	-5.04	0	4	0	38	227.695	2	↓ MOL2 SDF SMILES Flexibase

48631254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(6-chloropyrimidin-4-yl)-2-ethyl-morpholine (2S)-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)	1.97	5.77	-5.15	0	4	0	38	227.695	2	↓ MOL2 SDF SMILES Flexibase

48631276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6-chloropyrimidin-4-yl)-2,2-dimethyl-morpholine 4-(6-chloropyrimidin-4-yl)-2,2-d…

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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)	1.91	5.7	-5	0	4	0	38	227.695	1	↓ MOL2 SDF SMILES Flexibase

48631279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(6-chloropyrimidin-4-yl)-3-ethyl-morpholine (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)	1.97	4.63	-4.17	0	4	0	38	227.695	2	↓ MOL2 SDF SMILES Flexibase

48631280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(6-chloropyrimidin-4-yl)-3-ethyl-morpholine (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)	1.97	4.63	-4.17	0	4	0	38	227.695	2	↓ MOL2 SDF SMILES Flexibase

52814196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2,6-dimethyl-morpholine (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)	2.25	5.7	-7	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52814197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2,6-dimethyl-morpholine (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)	2.25	5.77	-6.59	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52814198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2,6-dimethyl-morpholine (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)	2.25	5.76	-6.99	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52814202

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2-methyl-morpholine (2R)-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)	1.88	4.91	-7.08	0	4	0	38	227.695	1	↓ MOL2 SDF SMILES Flexibase

52814203

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2-methyl-morpholine (2S)-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)	1.88	4.95	-7.1	0	4	0	38	227.695	1	↓ MOL2 SDF SMILES Flexibase

52814377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-3-methyl-morpholine (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)	1.85	4.06	-6.36	0	4	0	38	227.695	1	↓ MOL2 SDF SMILES Flexibase

52814378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-3-methyl-morpholine (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)	1.85	4.02	-6.33	0	4	0	38	227.695	1	↓ MOL2 SDF SMILES Flexibase

52814379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2,5-dimethyl-morpholine (2S,5S)-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)	2.21	5.63	-6.79	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52814380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2,5-dimethyl-morpholine (2R,5S)-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)	2.21	4.8	-6.27	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52814389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2-ethyl-morpholine (2R)-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	5.75	-6.91	0	4	0	38	241.722	2	↓ MOL2 SDF SMILES Flexibase

52814390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2-ethyl-morpholine (2S)-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	5.77	-7.06	0	4	0	38	241.722	2	↓ MOL2 SDF SMILES Flexibase

52814415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-chloro-6-methyl-pyrimidin-4-yl)-2,2-dimethyl-morpholine 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)	2.33	5.69	-6.99	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52814418

Analogs

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Popular Name: (3R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-3-ethyl-morpholine (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	4.62	-6.18	0	4	0	38	241.722	2	↓ MOL2 SDF SMILES Flexibase

52814419

Analogs

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Popular Name: (3S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-3-ethyl-morpholine (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	4.63	-6.17	0	4	0	38	241.722	2	↓ MOL2 SDF SMILES Flexibase

52814514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-5-ethyl-2-methyl-morpholine (2R,5R)-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)	2.75	6.54	-6.66	0	4	0	38	255.749	2	↓ MOL2 SDF SMILES Flexibase

52814516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-5-ethyl-2-methyl-morpholine (2R,5S)-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)	2.75	5.37	-6.11	0	4	0	38	255.749	2	↓ MOL2 SDF SMILES Flexibase

52814518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-5-ethyl-2-methyl-morpholine (2S,5R)-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)	2.75	5.37	-6.06	0	4	0	38	255.749	2	↓ MOL2 SDF SMILES Flexibase

52814519

Analogs

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Popular Name: (2S,5S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-5-ethyl-2-methyl-morpholine (2S,5S)-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)	2.75	6.5	-6.63	0	4	0	38	255.749	2	↓ MOL2 SDF SMILES Flexibase

52814525

Analogs

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Popular Name: 4-(2-chloro-6-methyl-pyrimidin-4-yl)-3,3-dimethyl-morpholine 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)	2.33	4.7	-6.07	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52814963

Analogs

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Popular Name: (6S)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2,2,6-trimethyl-morpholine (6S)-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)	2.69	6.4	-6.83	0	4	0	38	255.749	1	↓ MOL2 SDF SMILES Flexibase

52814965

Analogs

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Popular Name: (6R)-4-(2-chloro-6-methyl-pyrimidin-4-yl)-2,2,6-trimethyl-morpholine (6R)-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)	2.69	6.42	-6.87	0	4	0	38	255.749	1	↓ MOL2 SDF SMILES Flexibase

52835753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2,6-dimethyl-morpholine (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)	1.92	5.66	-5.35	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52835755

Analogs

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Popular Name: (2R,6R)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2,6-dimethyl-morpholine (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)	1.92	5.73	-5.09	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52835758

Analogs

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Popular Name: (2S,6S)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2,6-dimethyl-morpholine (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)	1.92	5.72	-5.27	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52835768

Analogs

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Popular Name: (2R)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2-methyl-morpholine (2R)-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)	1.55	4.87	-5.45	0	4	0	38	227.695	1	↓ MOL2 SDF SMILES Flexibase

52835771

Analogs

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Popular Name: (2S)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2-methyl-morpholine (2S)-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)	1.55	4.91	-5.43	0	4	0	38	227.695	1	↓ MOL2 SDF SMILES Flexibase

52836209

Analogs

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Popular Name: (3S)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-3-methyl-morpholine (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)	1.52	4.01	-4.47	0	4	0	38	227.695	1	↓ MOL2 SDF SMILES Flexibase

52836212

Analogs

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Popular Name: (3R)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-3-methyl-morpholine (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)	1.52	3.98	-4.48	0	4	0	38	227.695	1	↓ MOL2 SDF SMILES Flexibase

52836216

Analogs

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Popular Name: (2S,5S)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2,5-dimethyl-morpholine (2S,5S)-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)	1.88	5.6	-5.2	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52836218

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Popular Name: (2R,5S)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2,5-dimethyl-morpholine (2R,5S)-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)	1.88	4.75	-4.35	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52836243

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Popular Name: (2R)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2-ethyl-morpholine (2R)-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	5.7	-5.33	0	4	0	38	241.722	2	↓ MOL2 SDF SMILES Flexibase

52836245

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Popular Name: (2S)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-2-ethyl-morpholine (2S)-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	5.72	-5.32	0	4	0	38	241.722	2	↓ MOL2 SDF SMILES Flexibase

52836309

Analogs

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Popular Name: 4-(6-chloro-2-methyl-pyrimidin-4-yl)-2,2-dimethyl-morpholine 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)	2.00	5.65	-5.19	0	4	0	38	241.722	1	↓ MOL2 SDF SMILES Flexibase

52836315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-3-ethyl-morpholine (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	4.57	-4.29	0	4	0	38	241.722	2	↓ MOL2 SDF SMILES Flexibase

52836317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-3-ethyl-morpholine (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	4.58	-4.32	0	4	0	38	241.722	2	↓ MOL2 SDF SMILES Flexibase

52836520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-5-ethyl-2-methyl-morpholine (2R,5R)-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)	2.42	6.49	-5.1	0	4	0	38	255.749	2	↓ MOL2 SDF SMILES Flexibase

52836523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-4-(6-chloro-2-methyl-pyrimidin-4-yl)-5-ethyl-2-methyl-morpholine (2R,5S)-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)	2.42	5.32	-4.22	0	4	0	38	255.749	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3758
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 = 3758 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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