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ZINC Item

Suppliers, Protomers, & Similar Substances

52855844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-methylpyrazol-1-yl)pyrimidin-5-amine 2-(3-methylpyrazol-1-yl)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)	0.33	3.89	-13.03	2	5	0	70	175.195	1	↓ MOL2 SDF SMILES Flexibase

52884130

Analogs

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Popular Name: 2-(3-isopropylpyrazol-1-yl)pyrimidin-5-amine 2-(3-isopropylpyrazol-1-yl)pyrim…

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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	5.16	-12.61	2	5	0	70	203.249	2	↓ MOL2 SDF SMILES Flexibase

19432428

Analogs

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Popular Name: 1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbaldehyde 1-(4,6-dimethylpyrimidin-2-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)	0.86	6.38	-14.79	0	5	0	61	202.217	2	↓ MOL2 SDF SMILES Flexibase

36533743

Analogs

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Popular Name: 1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1H-pyrazol-4-amine 1-[4-(Trifluoromethyl)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)	1.02	4.3	-12.29	2	5	0	70	229.165	2	↓ MOL2 SDF SMILES Flexibase

54669839

Analogs

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Popular Name: 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-ol 3-[1-(4,6-dimethylpyrimidin-2-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)	1.13	5.52	-14.18	1	5	0	64	232.287	4	↓ MOL2 SDF SMILES Flexibase

54669879

Analogs

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Popular Name: 3-(1-pyrimidin-2-ylpyrazol-4-yl)propan-1-ol 3-(1-pyrimidin-2-ylpyrazol-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)	0.25	4.3	-14.1	1	5	0	64	204.233	4	↓ MOL2 SDF SMILES Flexibase

54669934

Analogs

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Popular Name: 2-[4-(3-chloropropyl)pyrazol-1-yl]-4,6-dimethyl-pyrimidine 2-[4-(3-chloropropyl)pyrazol-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)	2.37	9.47	-13.09	0	4	0	44	250.733	4	↓ MOL2 SDF SMILES Flexibase

54669936

Analogs

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Popular Name: 2-[4-(3-bromopropyl)pyrazol-1-yl]-4,6-dimethyl-pyrimidine 2-[4-(3-bromopropyl)pyrazol-1-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)	2.50	9.59	-12.88	0	4	0	44	295.184	4	↓ MOL2 SDF SMILES Flexibase

54670027

Analogs

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Popular Name: 2-[4-(3-chloropropyl)pyrazol-1-yl]pyrimidine 2-[4-(3-chloropropyl)pyrazol-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)	1.49	8.26	-13.03	0	4	0	44	222.679	4	↓ MOL2 SDF SMILES Flexibase

54670028

Analogs

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Popular Name: 2-[4-(3-bromopropyl)pyrazol-1-yl]pyrimidine 2-[4-(3-bromopropyl)pyrazol-1-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)	1.62	8.38	-12.88	0	4	0	44	267.13	4	↓ MOL2 SDF SMILES Flexibase

54670160

Analogs

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Popular Name: 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propan-1-amine 3-[1-(4,6-dimethylpyrimidin-2-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)	0.57	6.23	-52.7	3	5	1	71	232.311	4	↓ MOL2 SDF SMILES Flexibase

54670162

Analogs

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Popular Name: 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-N-methyl-propan-1-amine 3-[1-(4,6-dimethylpyrimidin-2-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)	1.55	8.1	-48.06	2	5	1	60	246.338	5	↓ MOL2 SDF SMILES Flexibase

54670163

Analogs

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Popular Name: 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-N-ethyl-propan-1-amine 3-[1-(4,6-dimethylpyrimidin-2-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)	1.58	8.95	-47.43	2	5	1	60	260.365	6	↓ MOL2 SDF SMILES Flexibase

54670164

Analogs

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Popular Name: 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-N-propyl-propan-1-amine 3-[1-(4,6-dimethylpyrimidin-2-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)	2.08	9.71	-48.37	2	5	1	60	274.392	7	↓ MOL2 SDF SMILES Flexibase

54670166

Analogs

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Popular Name: 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-N-isopropyl-propan-1-amine 3-[1-(4,6-dimethylpyrimidin-2-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)	2.22	9.49	-46.38	2	5	1	60	274.392	6	↓ MOL2 SDF SMILES Flexibase

54670168

Analogs

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Popular Name: N-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propyl]-2-methyl-propan-2-amine N-[3-[1-(4,6-dimethylpyrimidin-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)	2.74	9.91	-45.13	2	5	1	60	288.419	6	↓ MOL2 SDF SMILES Flexibase

54670169

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]propyl]-2-methyl-propan-1-amine N-[3-[1-(4,6-dimethylpyrimidin-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)	2.32	10.39	-48.47	2	5	1	60	288.419	7	↓ MOL2 SDF SMILES Flexibase

54670171

Analogs

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Popular Name: 3-[1-(4,6-dimethylpyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine 3-[1-(4,6-dimethylpyrimidin-2-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)	1.18	8.09	-47.77	2	6	1	69	290.391	8	↓ MOL2 SDF SMILES Flexibase

54680214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-pyrimidin-2-ylpyrazol-4-yl)propan-1-amine 3-(1-pyrimidin-2-ylpyrazol-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)	-0.31	5.02	-52.74	3	5	1	71	204.257	4	↓ MOL2 SDF SMILES Flexibase

54680219

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)propan-1-amine N-methyl-3-(1-pyrimidin-2-ylpyra…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.67	6.9	-48.16	2	5	1	60	218.284	5	↓ MOL2 SDF SMILES Flexibase

54680223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)propan-1-amine N-ethyl-3-(1-pyrimidin-2-ylpyraz…

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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	7.75	-47.55	2	5	1	60	232.311	6	↓ MOL2 SDF SMILES Flexibase

54680227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)propan-1-amine N-propyl-3-(1-pyrimidin-2-ylpyra…

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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)	1.20	8.5	-48.47	2	5	1	60	246.338	7	↓ MOL2 SDF SMILES Flexibase

54680231

Analogs

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Popular Name: N-isopropyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)propan-1-amine N-isopropyl-3-(1-pyrimidin-2-ylp…

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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)	1.34	8.28	-46.44	2	5	1	60	246.338	6	↓ MOL2 SDF SMILES Flexibase

54680238

Analogs

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Popular Name: 2-methyl-N-[3-(1-pyrimidin-2-ylpyrazol-4-yl)propyl]propan-2-amine 2-methyl-N-[3-(1-pyrimidin-2-ylp…

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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	8.71	-45.22	2	5	1	60	260.365	6	↓ MOL2 SDF SMILES Flexibase

54680241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[3-(1-pyrimidin-2-ylpyrazol-4-yl)propyl]propan-1-amine 2-methyl-N-[3-(1-pyrimidin-2-ylp…

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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)	1.44	9.18	-48.62	2	5	1	60	260.365	7	↓ MOL2 SDF SMILES Flexibase

54680245

Analogs

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Popular Name: N-(2-methoxyethyl)-3-(1-pyrimidin-2-ylpyrazol-4-yl)propan-1-amine N-(2-methoxyethyl)-3-(1-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)	0.30	6.88	-47.93	2	6	1	69	262.337	8	↓ MOL2 SDF SMILES Flexibase

24566754

Analogs

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Popular Name: 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-pyrazol-4-yl]-N-prop-2-ynyl-acetamide 2-[1-(4,6-dimethylpyrimidin-2-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)	0.96	8.41	-20.66	1	6	0	73	297.362	4	↓ MOL2 SDF SMILES Flexibase

54712600

Analogs

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Popular Name: (2R)-3-chloro-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-methyl-propanamide (2R)-3-chloro-N-[2-(4,6-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)	2.02	9.61	-14	1	6	0	73	307.785	4	↓ MOL2 SDF SMILES Flexibase

54712601

Analogs

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Popular Name: (2S)-3-chloro-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-methyl-propanamide (2S)-3-chloro-N-[2-(4,6-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)	2.02	9.62	-13.98	1	6	0	73	307.785	4	↓ MOL2 SDF SMILES Flexibase

58341843

Analogs

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Popular Name: 3-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-pyrazol-4-yl]acetyl]amino]-N,N-dimethyl-propanami 3-[[2-[1-(4,6-dimethylpyrimidin-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.02	8.14	-31.76	1	8	0	93	358.446	6	↓ MOL2 SDF SMILES Flexibase

59312404

Analogs

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Popular Name: 1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-sulfonyl 1-(4,6-dimethylpyrimidin-2-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)	0.96	4.22	-13.79	0	6	0	78	272.717	2	↓ MOL2 SDF SMILES Flexibase

59312405

Analogs

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Popular Name: 1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-pyrazole-4-sulfonyl 1-(4,6-dimethylpyrimidin-2-yl)-3…

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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	5.72	-13.16	0	6	0	78	300.771	2	↓ MOL2 SDF SMILES Flexibase

59312443

Analogs

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Popular Name: 1-pyrimidin-2-ylpyrazole-4-sulfonyl 1-pyrimidin-2-ylpyrazole-4-sulfonyl

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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)	0.08	3.01	-14.36	0	6	0	78	244.663	2	↓ MOL2 SDF SMILES Flexibase

59312444

Analogs

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Popular Name: 3,5-dimethyl-1-pyrimidin-2-yl-pyrazole-4-sulfonyl 3,5-dimethyl-1-pyrimidin-2-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)	0.52	4.53	-13.88	0	6	0	78	272.717	2	↓ MOL2 SDF SMILES Flexibase

62961309

Analogs

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Popular Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-[(1S)-1-methylbut-3-enyl]pyrazole-4-carbaldehyde 1-(4,6-dimethylpyrimidin-2-yl)-3…

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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)	2.52	9.48	-14.15	0	5	0	61	270.336	5	↓ MOL2 SDF SMILES Flexibase

62961310

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Popular Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-[(1R)-1-methylbut-3-enyl]pyrazole-4-carbaldehyde 1-(4,6-dimethylpyrimidin-2-yl)-3…

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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)	2.52	9.44	-13.55	0	5	0	61	270.336	5	↓ MOL2 SDF SMILES Flexibase

62961372

Analogs

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Popular Name: 3-[(1S)-1-methylbut-3-enyl]-1-pyrimidin-2-yl-pyrazole-4-carbaldehyde 3-[(1S)-1-methylbut-3-enyl]-1-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)	1.64	8.26	-14.19	0	5	0	61	242.282	5	↓ MOL2 SDF SMILES Flexibase

62961373

Analogs

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Popular Name: 3-[(1R)-1-methylbut-3-enyl]-1-pyrimidin-2-yl-pyrazole-4-carbaldehyde 3-[(1R)-1-methylbut-3-enyl]-1-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)	1.64	8.22	-13.74	0	5	0	61	242.282	5	↓ MOL2 SDF SMILES Flexibase

69657977

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Popular Name: 2-(2,2,2-trifluoroethoxy)ethyl 2-(2,2,2-trifluoroethoxy)ethyl

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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)	2.27	11.12	-21.24	0	7	0	79	386.374	9	↓ MOL2 SDF SMILES Flexibase

69759857

Analogs

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Popular Name: 4-chloro-1-(4-methylpyrimidin-2-yl)pyrazol-3-amine 4-chloro-1-(4-methylpyrimidin-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)	0.91	5.41	-10.96	2	5	0	70	209.64	1	↓ MOL2 SDF SMILES Flexibase

69759868

Analogs

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Popular Name: 4-chloro-1-(4-methoxypyrimidin-2-yl)pyrazol-3-amine 4-chloro-1-(4-methoxypyrimidin-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)	0.87	3.28	-9.59	2	6	0	79	225.639	2	↓ MOL2 SDF SMILES Flexibase

69759895

Analogs

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Popular Name: 4-chloro-1-pyrimidin-2-yl-pyrazol-3-amine 4-chloro-1-pyrimidin-2-yl-pyrazo…

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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)	0.47	4.81	-10.89	2	5	0	70	195.613	1	↓ MOL2 SDF SMILES Flexibase

69759896

Analogs

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Popular Name: 4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine 4-chloro-1-(4,6-dimethylpyrimidi…

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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	6.02	-10.72	2	5	0	70	223.667	1	↓ MOL2 SDF SMILES Flexibase

69759908

Analogs

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Popular Name: 1-(5-bromopyrimidin-2-yl)-4-chloro-pyrazol-3-amine 1-(5-bromopyrimidin-2-yl)-4-chlo…

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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)	1.65	5.4	-7.38	2	5	0	70	274.509	1	↓ MOL2 SDF SMILES Flexibase

69759916

Analogs

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Popular Name: 4-chloro-1-(5-methylpyrimidin-2-yl)pyrazol-3-amine 4-chloro-1-(5-methylpyrimidin-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)	0.96	5.44	-10.18	2	5	0	70	209.64	1	↓ MOL2 SDF SMILES Flexibase

69760392

Analogs

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Popular Name: 4-methyl-1-(4-methylpyrimidin-2-yl)pyrazol-3-amine 4-methyl-1-(4-methylpyrimidin-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)	0.68	5.58	-13.03	2	5	0	70	189.222	1	↓ MOL2 SDF SMILES Flexibase

69760401

Analogs

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Popular Name: 1-(4-methoxypyrimidin-2-yl)-4-methyl-pyrazol-3-amine 1-(4-methoxypyrimidin-2-yl)-4-me…

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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)	0.64	3.46	-11.66	2	6	0	79	205.221	2	↓ MOL2 SDF SMILES Flexibase

69760430

Analogs

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Popular Name: 1-(5-bromopyrimidin-2-yl)-4-methyl-pyrazol-3-amine 1-(5-bromopyrimidin-2-yl)-4-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)	1.42	5.57	-9.37	2	5	0	70	254.091	1	↓ MOL2 SDF SMILES Flexibase

69760437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(5-methylpyrimidin-2-yl)pyrazol-3-amine 4-methyl-1-(5-methylpyrimidin-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)	0.73	5.61	-12.3	2	5	0	70	189.222	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.73	5.35	-44.29	3	5	1	71	190.23	1	↓ MOL2 SDF SMILES Flexibase

40445290

Analogs

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Popular Name: 2-(3,4,5-trimethylpyrazol-1-yl)pyrimidine 2-(3,4,5-trimethylpyrazol-1-yl)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)	1.08	7.64	-13.39	0	4	0	44	188.234	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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