ZINC 12

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ZINC Item

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50906968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5-nitro-6-(4-propyl-1-piperidyl)pyrimidine 4-chloro-5-nitro-6-(4-propyl-1-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)	3.54	9.26	-4.37	0	6	0	75	284.747	4	↓ MOL2 SDF SMILES Flexibase

50906971

Analogs

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Popular Name: 4-chloro-6-(4-propyl-1-piperidyl)pyrimidine 4-chloro-6-(4-propyl-1-piperidyl…

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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)	3.65	8.62	-4.27	0	3	0	29	239.75	3	↓ MOL2 SDF SMILES Flexibase

48631081

Analogs

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Popular Name: (1-(6-chloropyrimidin-4-yl)piperidin-4-yl)methanol (1-(6-chloropyrimidin-4-yl)piper…

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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	3.92	-5.75	1	4	0	49	227.695	2	↓ MOL2 SDF SMILES Flexibase

48631165

Analogs

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Popular Name: 2-[(2R)-1-(6-chloropyrimidin-4-yl)-2-piperidyl]ethanol 2-[(2R)-1-(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)	1.79	3.67	-6.6	1	4	0	49	241.722	3	↓ MOL2 SDF SMILES Flexibase

48631166

Analogs

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Popular Name: 2-[(2S)-1-(6-chloropyrimidin-4-yl)-2-piperidyl]ethanol 2-[(2S)-1-(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)	1.79	3.66	-6.59	1	4	0	49	241.722	3	↓ MOL2 SDF SMILES Flexibase

48631271

Analogs

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Popular Name: 4-chloro-6-[(3R)-3-ethyl-1-piperidyl]pyrimidine 4-chloro-6-[(3R)-3-ethyl-1-piper…

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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	7.85	-4.33	0	3	0	29	225.723	2	↓ MOL2 SDF SMILES Flexibase

48631272

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-[(3S)-3-ethyl-1-piperidyl]pyrimidine 4-chloro-6-[(3S)-3-ethyl-1-piper…

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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	7.85	-4.32	0	3	0	29	225.723	2	↓ MOL2 SDF SMILES Flexibase

48631274

Analogs

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Popular Name: 1-(6-chloropyrimidin-4-yl)-N,N-dimethyl-piperidin-4-amine 1-(6-chloropyrimidin-4-yl)-N,N-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)	1.68	7.62	-40.97	1	4	1	33	241.746	2	↓ MOL2 SDF SMILES Flexibase

48631316

Analogs

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Popular Name: 4-chloro-6-(4-ethoxy-1-piperidyl)pyrimidine 4-chloro-6-(4-ethoxy-1-piperidyl…

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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)	1.28	6.57	-5.86	0	4	0	38	241.722	3	↓ MOL2 SDF SMILES Flexibase

52814057

Analogs

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Popular Name: (3S)-1-(2-chloro-6-methyl-pyrimidin-4-yl)piperidine-3-carboxamide (3S)-1-(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)	1.18	3.22	-9.88	2	5	0	72	254.721	2	↓ MOL2 SDF SMILES Flexibase

52814058

Analogs

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Popular Name: (3R)-1-(2-chloro-6-methyl-pyrimidin-4-yl)piperidine-3-carboxamide (3R)-1-(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)	1.18	3.23	-9.83	2	5	0	72	254.721	2	↓ MOL2 SDF SMILES Flexibase

52814061

Analogs

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Popular Name: (1-(2-chloro-6-methylpyrimidin-4-yl)piperidin-4-yl)methanol (1-(2-chloro-6-methylpyrimidin-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)	1.82	3.89	-7.36	1	4	0	49	241.722	2	↓ MOL2 SDF SMILES Flexibase

52814090

Analogs

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Popular Name: 1-(2-chloro-6-methyl-pyrimidin-4-yl)piperidine-4-carboxamide 1-(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)	1.18	3.25	-15.52	2	5	0	72	254.721	2	↓ MOL2 SDF SMILES Flexibase

52814186

Analogs

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Popular Name: 2-chloro-4-[(3S,5R)-3,5-dimethyl-1-piperidyl]-6-methyl-pyrimidine 2-chloro-4-[(3S,5R)-3,5-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)	3.30	7.77	-6.09	0	3	0	29	239.75	1	↓ MOL2 SDF SMILES Flexibase

52814187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-6-methyl-pyrimidine 2-chloro-4-[(3S,5S)-3,5-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)	3.30	7.94	-5.9	0	3	0	29	239.75	1	↓ MOL2 SDF SMILES Flexibase

52814188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-6-methyl-pyrimidine 2-chloro-4-[(3R,5R)-3,5-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)	3.30	7.94	-6.3	0	3	0	29	239.75	1	↓ MOL2 SDF SMILES Flexibase

52814190

Analogs

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Popular Name: 2-[(2R)-1-(2-chloro-6-methyl-pyrimidin-4-yl)-2-piperidyl]ethanol 2-[(2R)-1-(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	3.66	-9.23	1	4	0	49	255.749	3	↓ MOL2 SDF SMILES Flexibase

52814191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-(2-chloro-6-methyl-pyrimidin-4-yl)-2-piperidyl]ethanol 2-[(2S)-1-(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	3.66	-9.19	1	4	0	49	255.749	3	↓ MOL2 SDF SMILES Flexibase

52814192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidine 2-chloro-4-methyl-6-(4-methylpip…

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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)	2.83	7.21	-6.42	0	3	0	29	225.723	1	↓ MOL2 SDF SMILES Flexibase

52814193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-methyl-6-[(2S)-2-methyl-1-piperidyl]pyrimidine 2-chloro-4-methyl-6-[(2S)-2-meth…

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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	6.39	-5.95	0	3	0	29	225.723	1	↓ MOL2 SDF SMILES Flexibase

52814194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-methyl-6-[(2R)-2-methyl-1-piperidyl]pyrimidine 2-chloro-4-methyl-6-[(2R)-2-meth…

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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	6.4	-5.95	0	3	0	29	225.723	1	↓ MOL2 SDF SMILES Flexibase

52814199

Analogs

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Popular Name: 2-chloro-4-methyl-6-[(3S)-3-methyl-1-piperidyl]pyrimidine 2-chloro-4-methyl-6-[(3S)-3-meth…

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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)	2.83	7.18	-6.11	0	3	0	29	225.723	1	↓ MOL2 SDF SMILES Flexibase

52814200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-methyl-6-[(3R)-3-methyl-1-piperidyl]pyrimidine 2-chloro-4-methyl-6-[(3R)-3-meth…

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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)	2.83	7.2	-6.14	0	3	0	29	225.723	1	↓ MOL2 SDF SMILES Flexibase

52814207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-Chloro-6-methyl-pyrimidin-4-yl)-piperidin-4-ol 1-(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)	0.70	3.27	-9.13	1	4	0	49	227.695	1	↓ MOL2 SDF SMILES Flexibase

52814308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-[(2R)-2-ethyl-1-piperidyl]-6-methyl-pyrimidine 2-chloro-4-[(2R)-2-ethyl-1-piper…

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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)	3.45	6.99	-5.83	0	3	0	29	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814309

Analogs

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Popular Name: 2-chloro-4-[(2S)-2-ethyl-1-piperidyl]-6-methyl-pyrimidine 2-chloro-4-[(2S)-2-ethyl-1-piper…

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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)	3.45	6.99	-5.87	0	3	0	29	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814337

Analogs

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Popular Name: 2-chloro-4-(4-methoxy-1-piperidyl)-6-methyl-pyrimidine 2-chloro-4-(4-methoxy-1-piperidy…

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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)	1.32	5.61	-8.07	0	4	0	38	241.722	2	↓ MOL2 SDF SMILES Flexibase

52814354

Analogs

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Popular Name: 1-(2-chloro-6-methylpyrimidin-4-yl)piperidin-3-ol 1-(2-chloro-6-methylpyrimidin-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)	1.43	3.23	-6.6	1	4	0	49	227.695	1	↓ MOL2 SDF SMILES Flexibase

52814355

Analogs

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Popular Name: 1-(2-chloro-6-methylpyrimidin-4-yl)piperidin-3-ol 1-(2-chloro-6-methylpyrimidin-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)	1.43	3.24	-6.62	1	4	0	49	227.695	1	↓ MOL2 SDF SMILES Flexibase

52814408

Analogs

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Popular Name: 2-chloro-4-[(3R)-3-ethyl-1-piperidyl]-6-methyl-pyrimidine 2-chloro-4-[(3R)-3-ethyl-1-piper…

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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)	3.33	7.82	-6.48	0	3	0	29	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814409

Analogs

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Popular Name: 2-chloro-4-[(3S)-3-ethyl-1-piperidyl]-6-methyl-pyrimidine 2-chloro-4-[(3S)-3-ethyl-1-piper…

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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)	3.33	7.82	-6.46	0	3	0	29	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814411

Analogs

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Popular Name: 1-(2-chloro-6-methyl-pyrimidin-4-yl)-N,N-dimethyl-piperidin-4-amine 1-(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)	2.10	7.61	-42.51	1	4	1	33	255.773	2	↓ MOL2 SDF SMILES Flexibase

52814412

Analogs

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Popular Name: [1-(2-Chloro-6-methyl-pyrimidin-4-yl)-piperidin-3-yl]-methanol [1-(2-Chloro-6-methyl-pyrimidin-…

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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)	1.82	3.88	-8.91	1	4	0	49	241.722	2	↓ MOL2 SDF SMILES Flexibase

52814413

Analogs

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Popular Name: [1-(2-Chloro-6-methyl-pyrimidin-4-yl)-piperidin-3-yl]-methanol [1-(2-Chloro-6-methyl-pyrimidin-…

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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)	1.82	3.9	-8.93	1	4	0	49	241.722	2	↓ MOL2 SDF SMILES Flexibase

52814462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-(4-ethoxy-1-piperidyl)-6-methyl-pyrimidine 2-chloro-4-(4-ethoxy-1-piperidyl…

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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	6.55	-7.99	0	4	0	38	255.749	3	↓ MOL2 SDF SMILES Flexibase

52814478

Analogs

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Popular Name: (1-(2-chloro-6-methylpyrimidin-4-yl)piperidin-2-yl)methanol (1-(2-chloro-6-methylpyrimidin-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)	1.94	3.42	-7.82	1	4	0	49	241.722	2	↓ MOL2 SDF SMILES Flexibase

52814479

Analogs

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Popular Name: (1-(2-chloro-6-methylpyrimidin-4-yl)piperidin-2-yl)methanol (1-(2-chloro-6-methylpyrimidin-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)	1.94	3.4	-7.83	1	4	0	49	241.722	2	↓ MOL2 SDF SMILES Flexibase

52814510

Analogs

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Popular Name: 2-chloro-4-(4-ethyl-1-piperidyl)-6-methyl-pyrimidine 2-chloro-4-(4-ethyl-1-piperidyl)…

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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)	3.51	7.84	-6.29	0	3	0	29	239.75	2	↓ MOL2 SDF SMILES Flexibase

52814551

Analogs

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Popular Name: 1-(2-chloro-6-methyl-pyrimidin-4-yl)-N-methyl-piperidine-4-carboxamide 1-(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)	1.55	4.77	-15.61	1	5	0	58	268.748	2	↓ MOL2 SDF SMILES Flexibase

52814707

Analogs

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Popular Name: 1-[1-(2-chloro-6-methyl-pyrimidin-4-yl)-4-piperidyl]-N,N-dimethyl-methanamine 1-[1-(2-chloro-6-methyl-pyrimidi…

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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)	2.48	8.51	-42.75	1	4	1	33	269.8	3	↓ MOL2 SDF SMILES Flexibase

52814712

Analogs

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Popular Name: (2R)-1-(2-chloro-6-methyl-pyrimidin-4-yl)piperidine-2-carboxamide (2R)-1-(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)	1.86	2.5	-15.08	2	5	0	72	254.721	2	↓ MOL2 SDF SMILES Flexibase

52814713

Analogs

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Popular Name: (2S)-1-(2-chloro-6-methyl-pyrimidin-4-yl)piperidine-2-carboxamide (2S)-1-(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)	1.86	2.46	-15.13	2	5	0	72	254.721	2	↓ MOL2 SDF SMILES Flexibase

52814714

Analogs

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Popular Name: (2R)-1-(2-chloro-6-methyl-pyrimidin-4-yl)-N-methyl-piperidine-2-carboxamide (2R)-1-(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)	1.68	3.98	-15.17	1	5	0	58	268.748	2	↓ MOL2 SDF SMILES Flexibase

52814715

Analogs

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Popular Name: (2S)-1-(2-chloro-6-methyl-pyrimidin-4-yl)-N-methyl-piperidine-2-carboxamide (2S)-1-(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)	1.68	3.95	-15.23	1	5	0	58	268.748	2	↓ MOL2 SDF SMILES Flexibase

52814721

Analogs

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Popular Name: 2-chloro-4-methyl-6-[(3R)-3-propoxy-1-piperidyl]pyrimidine 2-chloro-4-methyl-6-[(3R)-3-prop…

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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)	2.93	7.33	-7.53	0	4	0	38	269.776	4	↓ MOL2 SDF SMILES Flexibase

52814723

Analogs

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Popular Name: 2-chloro-4-methyl-6-[(3S)-3-propoxy-1-piperidyl]pyrimidine 2-chloro-4-methyl-6-[(3S)-3-prop…

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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)	2.93	7.33	-7.53	0	4	0	38	269.776	4	↓ MOL2 SDF SMILES Flexibase

52814725

Analogs

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Popular Name: 2-chloro-4-[(3R)-3-ethoxy-1-piperidyl]-6-methyl-pyrimidine 2-chloro-4-[(3R)-3-ethoxy-1-pipe…

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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)	2.43	6.53	-7.68	0	4	0	38	255.749	3	↓ MOL2 SDF SMILES Flexibase

52814727

Analogs

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Popular Name: 2-chloro-4-[(3S)-3-ethoxy-1-piperidyl]-6-methyl-pyrimidine 2-chloro-4-[(3S)-3-ethoxy-1-pipe…

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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)	2.43	6.53	-7.64	0	4	0	38	255.749	3	↓ MOL2 SDF SMILES Flexibase

52814729

Analogs

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Popular Name: (3R,6S)-1-(2-chloro-6-methyl-pyrimidin-4-yl)-6-methyl-piperidine-3-carboxamide (3R,6S)-1-(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)	1.51	3.77	-9.57	2	5	0	72	268.748	2	↓ MOL2 SDF SMILES Flexibase

52814731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-(2-chloro-6-methyl-pyrimidin-4-yl)-6-methyl-piperidine-3-carboxamide (3S,6S)-1-(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)	1.51	3.02	-9.54	2	5	0	72	268.748	2	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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