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750967

Analogs

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Popular Name: 2-[[4-chloro-6-[(3R)-3-methyl-4-propionyl-piperazino]pyrimidin-2-yl]thio]-N-isobutyl-acetamide 2-[[4-chloro-6-[(3R)-3-methyl-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)	3.38	-4.66	-15.14	1	7	0	78	413.975	7	↓ MOL2 SDF SMILES Flexibase

750968

Analogs

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Popular Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-propionyl-piperazino]pyrimidin-2-yl]thio]-N-isobutyl-acetamide 2-[[4-chloro-6-[(3S)-3-methyl-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)	3.38	-4.66	-15.08	1	7	0	78	413.975	7	↓ MOL2 SDF SMILES Flexibase

750972

Analogs

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Popular Name: 2-[[4-chloro-6-[(3R)-3-methyl-4-propionyl-piperazino]pyrimidin-2-yl]thio]-N-isopropyl-acetamide 2-[[4-chloro-6-[(3R)-3-methyl-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)	2.93	-4.73	-15.49	1	7	0	78	399.948	6	↓ MOL2 SDF SMILES Flexibase

750973

Analogs

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Popular Name: 2-[[4-chloro-6-[(3S)-3-methyl-4-propionyl-piperazino]pyrimidin-2-yl]thio]-N-isopropyl-acetamide 2-[[4-chloro-6-[(3S)-3-methyl-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)	2.93	-4.73	-15.43	1	7	0	78	399.948	6	↓ MOL2 SDF SMILES Flexibase

751237

Analogs

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Popular Name: 2-[[4-[(3R)-4-butyryl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N,N-diethyl-acetamide 2-[[4-[(3R)-4-butyryl-3-methyl-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)	3.82	-3.13	-13.64	0	7	0	69	428.002	8	↓ MOL2 SDF SMILES Flexibase

751238

Analogs

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Popular Name: 2-[[4-[(3S)-4-butyryl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N,N-diethyl-acetamide 2-[[4-[(3S)-4-butyryl-3-methyl-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)	3.82	-2.7	-15.3	0	7	0	69	428.002	8	↓ MOL2 SDF SMILES Flexibase

751326

Analogs

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Popular Name: 2-[[4-[(3R)-4-butyryl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N,N-dipropyl-acetamide 2-[[4-[(3R)-4-butyryl-3-methyl-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)	4.82	12.16	-15.78	0	7	0	70	456.056	10	↓ MOL2 SDF SMILES Flexibase

751327

Analogs

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Popular Name: 2-[[4-[(3S)-4-butyryl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N,N-dipropyl-acetamide 2-[[4-[(3S)-4-butyryl-3-methyl-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)	4.82	11.95	-15.13	0	7	0	70	456.056	10	↓ MOL2 SDF SMILES Flexibase

751510

Analogs

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Popular Name: 2-[4-chloro-6-(3-methyl-4-propanoyl-piperazin-1-yl)-pyrimidin-2-yl]sulfanylacetic 2-[4-chloro-6-(3-methyl-4-propan…

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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)	2.40	-3.68	-52.33	0	7	-1	89	357.843	5	↓ MOL2 SDF SMILES Flexibase

751511

Analogs

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Popular Name: 2-[4-chloro-6-(3-methyl-4-propanoyl-piperazin-1-yl)-pyrimidin-2-yl]sulfanylacetic 2-[4-chloro-6-(3-methyl-4-propan…

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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)	2.40	-3.69	-52.26	0	7	-1	89	357.843	5	↓ MOL2 SDF SMILES Flexibase

751517

Analogs

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Popular Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylacetic 2-[4-(4-butanoyl-3-methyl-pipera…

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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)	2.96	-3.95	-49.03	0	7	-1	89	371.87	6	↓ MOL2 SDF SMILES Flexibase

751518

Analogs

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Popular Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylacetic 2-[4-(4-butanoyl-3-methyl-pipera…

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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)	2.96	-3.52	-52.08	0	7	-1	89	371.87	6	↓ MOL2 SDF SMILES Flexibase

751548

Analogs

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Popular Name: 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]-pyrimidin-2-yl]sulfanylacetic 2-[4-chloro-6-[4-(3,3-dimethylbu…

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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)	3.50	-2.79	-50.59	0	7	-1	89	399.924	6	↓ MOL2 SDF SMILES Flexibase

751551

Analogs

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Popular Name: 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]-pyrimidin-2-yl]sulfanylacetic 2-[4-chloro-6-[4-(3,3-dimethylbu…

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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)	3.50	-2.78	-50.63	0	7	-1	89	399.924	6	↓ MOL2 SDF SMILES Flexibase

751575

Analogs

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Popular Name: 2-[4-chloro-6-[4-(ethylcarbamoyl)-3-methyl-piperazin-1-yl]-pyrimidin-2-yl]sulfanylacetic 2-[4-chloro-6-[4-(ethylcarbamoyl…

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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)	2.78	-6.07	-49.25	1	8	-1	101	372.858	5	↓ MOL2 SDF SMILES Flexibase

751576

Analogs

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Popular Name: 2-[4-chloro-6-[4-(ethylcarbamoyl)-3-methyl-piperazin-1-yl]-pyrimidin-2-yl]sulfanylacetic 2-[4-chloro-6-[4-(ethylcarbamoyl…

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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)	2.78	-5.64	-52.46	1	8	-1	101	372.858	5	↓ MOL2 SDF SMILES Flexibase

751580

Analogs

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Popular Name: 2-[4-chloro-6-[4-(isopropylcarbamoyl)-3-methyl-piperazin-1-yl]-pyrimidin-2-yl]sulfanylacetic 2-[4-chloro-6-[4-(isopropylcarba…

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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)	3.08	-5.13	-52.45	1	8	-1	101	386.885	5	↓ MOL2 SDF SMILES Flexibase

751583

Analogs

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Popular Name: 2-[4-chloro-6-[4-(isopropylcarbamoyl)-3-methyl-piperazin-1-yl]-pyrimidin-2-yl]sulfanylacetic 2-[4-chloro-6-[4-(isopropylcarba…

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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)	3.08	-5.56	-49.23	1	8	-1	101	386.885	5	↓ MOL2 SDF SMILES Flexibase

751587

Analogs

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Popular Name: 2-[4-chloro-6-[3-methyl-4-(tert-butylcarbamoyl)piperazin-1-yl]-pyrimidin-2-yl]sulfanylacetic 2-[4-chloro-6-[3-methyl-4-(tert-…

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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)	3.59	-4.82	-51.7	1	8	-1	101	400.912	5	↓ MOL2 SDF SMILES Flexibase

751588

Analogs

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Popular Name: 2-[4-chloro-6-[3-methyl-4-(tert-butylcarbamoyl)piperazin-1-yl]-pyrimidin-2-yl]sulfanylacetic 2-[4-chloro-6-[3-methyl-4-(tert-…

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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)	3.59	-4.81	-51.73	1	8	-1	101	400.912	5	↓ MOL2 SDF SMILES Flexibase

751683

Analogs

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Popular Name: 2-[[4-[(3S)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-isobutyl-acetamide 2-[[4-[(3S)-4-acetyl-3-methyl-pi…

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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)	2.54	-4.7	-15.16	1	7	0	78	399.948	6	↓ MOL2 SDF SMILES Flexibase

751684

Analogs

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Popular Name: 2-[[4-[(3R)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-isobutyl-acetamide 2-[[4-[(3R)-4-acetyl-3-methyl-pi…

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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)	2.54	-4.69	-15.16	1	7	0	78	399.948	6	↓ MOL2 SDF SMILES Flexibase

751687

Analogs

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Popular Name: 2-[[4-[(3S)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-isopropyl-acetamide 2-[[4-[(3S)-4-acetyl-3-methyl-pi…

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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	-4.77	-15.54	1	7	0	78	385.921	5	↓ MOL2 SDF SMILES Flexibase

751688

Analogs

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Popular Name: 2-[[4-[(3R)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-isopropyl-acetamide 2-[[4-[(3R)-4-acetyl-3-methyl-pi…

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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	-4.76	-15.51	1	7	0	78	385.921	5	↓ MOL2 SDF SMILES Flexibase

751703

Analogs

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Popular Name: 2-[[4-[(3R)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N-[(1S)-1-methylpropyl]aceta 2-[[4-[(3R)-4-acetyl-3-methyl-pi…

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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)	2.63	-4.8	-13.96	1	7	0	78	399.948	6	↓ MOL2 SDF SMILES Flexibase

751720

Analogs

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Popular Name: 2-[[4-[(3S)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N,N-diethyl-acetamide 2-[[4-[(3S)-4-acetyl-3-methyl-pi…

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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	-2.9	-15.51	0	7	0	69	399.948	6	↓ MOL2 SDF SMILES Flexibase

751722

Analogs

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Popular Name: 2-[[4-[(3R)-4-acetyl-3-methyl-piperazino]-6-chloro-pyrimidin-2-yl]thio]-N,N-diethyl-acetamide 2-[[4-[(3R)-4-acetyl-3-methyl-pi…

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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	-2.89	-15.58	0	7	0	69	399.948	6	↓ MOL2 SDF SMILES Flexibase

48631079

Analogs

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Popular Name: 4-chloro-6-(4-propylpiperazin-1-yl)pyrimidine 4-chloro-6-(4-propylpiperazin-1-…

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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)	2.03	7.86	-41.72	1	4	1	33	241.746	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.03	5.63	-4.38	0	4	0	32	240.738	3	↓ MOL2 SDF SMILES Flexibase

48631163

Analogs

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Popular Name: 4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidine 4-chloro-6-(4-ethylpiperazin-1-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)	1.53	7.11	-40.84	1	4	1	33	227.719	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.53	4.88	-4.45	0	4	0	32	226.711	2	↓ MOL2 SDF SMILES Flexibase

48631273

Analogs

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Popular Name: 4-chloro-6-(4-isopropylpiperazin-1-yl)pyrimidine 4-chloro-6-(4-isopropylpiperazin…

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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	7.61	-39.23	1	4	1	33	241.746	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.82	5.46	-4.42	0	4	0	32	240.738	2	↓ MOL2 SDF SMILES Flexibase

52814059

Analogs

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Popular Name: 2-chloro-4-methyl-6-(4-propylpiperazin-1-yl)pyrimidine 2-chloro-4-methyl-6-(4-propylpip…

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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)	2.45	7.83	-43.1	1	4	1	33	255.773	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.45	5.62	-6.29	0	4	0	32	254.765	3	↓ MOL2 SDF SMILES Flexibase

52814180

Analogs

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Popular Name: 2-chloro-4-(4-ethylpiperazin-1-yl)-6-methyl-pyrimidine 2-chloro-4-(4-ethylpiperazin-1-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)	1.94	7.09	-42.33	1	4	1	33	241.746	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.94	4.86	-6.37	0	4	0	32	240.738	2	↓ MOL2 SDF SMILES Flexibase

52814184

Analogs

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Popular Name: 1-[4-(2-chloro-6-methyl-pyrimidin-4-yl)piperazin-1-yl]ethanone 1-[4-(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)	0.93	5.42	-14.33	0	5	0	49	254.721	1	↓ MOL2 SDF SMILES Flexibase

52814195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-methyl-6-(4-methylpiperazin-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)	1.57	6.42	-44	1	4	1	33	227.719	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.57	4.05	-6.7	0	4	0	32	226.711	1	↓ MOL2 SDF SMILES Flexibase

52814353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-chloro-6-methyl-pyrimidin-4-yl)piperazin-1-yl]ethanol 2-[4-(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)	0.94	1.54	-8.59	1	5	0	52	256.737	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.94	3.85	-41.93	2	5	1	54	257.745	3	↓ MOL2 SDF SMILES Flexibase

52814410

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	7.59	-40.8	1	4	1	33	255.773	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.24	5.42	-6.39	0	4	0	32	254.765	2	↓ MOL2 SDF SMILES Flexibase

52814526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-tert-butylpiperazin-1-yl)-2-chloro-6-methyl-pyrimidine 4-(4-tert-butylpiperazin-1-yl)-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	7.79	-39.83	1	4	1	33	269.8	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.75	5.71	-6.12	0	4	0	32	268.792	2	↓ MOL2 SDF SMILES Flexibase

71491408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-4-piperazin-1-yl-pyrimidine 2-tert-butyl-4-piperazin-1-yl-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)	1.35	5.71	-45.91	2	4	1	46	221.328	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	4.41	-5.7	1	4	0	41	220.32	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.35	6.15	-87.62	3	4	2	47	222.336	2	↓ MOL2 SDF SMILES Flexibase

52835389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-methyl-6-(4-propylpiperazin-1-yl)pyrimidine 4-chloro-2-methyl-6-(4-propylpip…

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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)	2.12	7.8	-41.92	1	4	1	33	255.773	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.12	5.58	-4.61	0	4	0	32	254.765	3	↓ MOL2 SDF SMILES Flexibase

52835715

Analogs

70616285
70616286

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidine 4-chloro-6-(4-ethylpiperazin-1-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)	1.61	7.05	-41.13	1	4	1	33	241.746	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.61	4.82	-4.75	0	4	0	32	240.738	2	↓ MOL2 SDF SMILES Flexibase

52835725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(6-chloro-2-methyl-pyrimidin-4-yl)piperazin-1-yl]ethanone 1-[4-(6-chloro-2-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)	0.60	5.44	-11.84	0	5	0	49	254.721	1	↓ MOL2 SDF SMILES Flexibase

52836148

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(6-chloro-2-methyl-pyrimidin-4-yl)piperazin-1-yl]ethanol 2-[4-(6-chloro-2-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)	0.60	1.6	-6.65	1	5	0	52	256.737	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.60	3.87	-40.74	2	5	1	54	257.745	3	↓ MOL2 SDF SMILES Flexibase

52836297

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7.59	-39.64	1	4	1	33	255.773	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.91	5.2	-4.54	0	4	0	32	254.765	2	↓ MOL2 SDF SMILES Flexibase

52836540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-methyl-pyrimidine 4-(4-tert-butylpiperazin-1-yl)-6…

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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	7.79	-38.5	1	4	1	33	269.8	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.42	5.72	-4.48	0	4	0	32	268.792	2	↓ MOL2 SDF SMILES Flexibase

71524220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic 6-(4-methylpiperazin-1-yl)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)	0.16	6.59	-72.29	1	6	0	74	222.248	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.16	4.23	-47.89	0	6	-1	72	221.24	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.16	7.02	-72.82	2	6	1	75	223.256	2	↓ MOL2 SDF SMILES Flexibase

71547072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxylic 6-(4-ethylpiperazin-1-yl)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)	0.54	7.25	-70.4	1	6	0	74	236.275	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.54	5.02	-47.7	0	6	-1	72	235.267	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.54	7.68	-71.72	2	6	1	75	237.283	3	↓ MOL2 SDF SMILES Flexibase

71551707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[6-isopropyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxylic (2S)-4-[6-isopropyl-2-(trifluoro…

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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)	0.16	6.74	-33.94	2	6	0	86	318.299	4	↓ MOL2 SDF SMILES Flexibase

71551708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[6-isopropyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxylic (2R)-4-[6-isopropyl-2-(trifluoro…

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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)	0.16	6.79	-34.23	2	6	0	86	318.299	4	↓ MOL2 SDF SMILES Flexibase

12016458

Analogs

34382294
4945061

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-ethylpiperazin-1-yl)-2,6-dimethyl-pyrimidine 4-(4-ethylpiperazin-1-yl)-2,6-di…

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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)	1.03	5.97	-38.77	1	4	1	33	221.328	2	↓ MOL2 SDF SMILES Flexibase

53604873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-4-methyl-6-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]pyrimidine 2-isopropyl-4-methyl-6-[4-[3-(2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.89	10.15	-89.03	2	5	2	44	362.44	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.89	7.46	-8.84	0	5	0	41	360.424	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.89	7.93	-28.59	1	5	1	43	361.432	8	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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