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ZINC Item

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52899329

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[[4-(2-aminoethyl)phenyl]methy…

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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)	0.45	6.03	-53.34	4	6	1	83	283.359	5	↓ MOL2 SDF SMILES Flexibase

52925944

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(3-aminophenyl)methyl]-1-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)	0.52	5.08	-8.68	3	6	0	82	254.297	3	↓ MOL2 SDF SMILES Flexibase

13012195

Analogs

13012196

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Popular Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-N,1-dimethyl-pyrazolo[4,5-e]pyrimidin-4-amine N-[(1R)-1-(4-chlorophenyl)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)	2.95	8.91	-8.32	0	5	0	47	301.781	3	↓ MOL2 SDF SMILES Flexibase

13012196

Analogs

13012195

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Popular Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-N,1-dimethyl-pyrazolo[4,5-e]pyrimidin-4-amine N-[(1S)-1-(4-chlorophenyl)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)	2.95	8.91	-7.21	0	5	0	47	301.781	3	↓ MOL2 SDF SMILES Flexibase

62580926

Analogs

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Popular Name: N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-[[3-(difluoromethoxy)phenyl]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)	2.23	7.16	-13.03	1	6	0	67	305.288	5	↓ MOL2 SDF SMILES Flexibase

26141463

Analogs

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Popular Name: N-ethyl-N-[(3-fluorophenyl)methyl]-1-methyl-pyrazolo[4,5-e]pyrimidin-4-amine N-ethyl-N-[(3-fluorophenyl)methy…

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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)	2.23	8.79	-7.78	0	5	0	47	285.326	4	↓ MOL2 SDF SMILES Flexibase

58555853

Analogs

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Popular Name: N-[(3-methoxy-4-methylsulfanyl-phenyl)methyl]-N,1-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(3-methoxy-4-methylsulfanyl-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)	2.13	9.17	-13.24	0	6	0	56	329.429	5	↓ MOL2 SDF SMILES Flexibase

52355983

Analogs

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Popular Name: N,1-dimethyl-N-[(1R)-1-(p-tolyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine N,1-dimethyl-N-[(1R)-1-(p-tolyl)…

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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)	2.72	10.15	-8.65	0	5	0	47	281.363	3	↓ MOL2 SDF SMILES Flexibase

52355985

Analogs

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Popular Name: N,1-dimethyl-N-[(1S)-1-(p-tolyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine N,1-dimethyl-N-[(1S)-1-(p-tolyl)…

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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)	2.72	10.29	-8.73	0	5	0	47	281.363	3	↓ MOL2 SDF SMILES Flexibase

52355997

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-N-ethyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(3-chlorophenyl)methyl]-N-eth…

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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	10.15	-10.5	0	5	0	47	301.781	4	↓ MOL2 SDF SMILES Flexibase

52427878

Analogs

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Popular Name: N-[[3-(diethylaminomethyl)phenyl]methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[[3-(diethylaminomethyl)phenyl…

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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	10.46	-42.3	2	6	1	60	325.44	7	↓ MOL2 SDF SMILES Flexibase

52429496

Analogs

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Popular Name: N-[[4-(difluoromethoxy)-3-ethoxy-phenyl]methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[[4-(difluoromethoxy)-3-ethoxy…

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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)	2.05	7.61	-12.49	1	7	0	74	349.341	7	↓ MOL2 SDF SMILES Flexibase

14236077

Analogs

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Popular Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N,1-dimethyl-pyrazolo[4,5-e]pyrimidin-4-amine N-[(2-methoxy-5-methyl-phenyl)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)	2.14	7.61	-8.29	0	6	0	56	297.362	4	↓ MOL2 SDF SMILES Flexibase

52447084

Analogs

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Popular Name: N-[(1S)-1-(2-fluorophenyl)ethyl]-N,1-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1S)-1-(2-fluorophenyl)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)	2.39	9.16	-12.07	0	5	0	47	285.326	3	↓ MOL2 SDF SMILES Flexibase

52447086

Analogs

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Popular Name: N-[(1R)-1-(2-fluorophenyl)ethyl]-N,1-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1R)-1-(2-fluorophenyl)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)	2.39	9.13	-11.77	0	5	0	47	285.326	3	↓ MOL2 SDF SMILES Flexibase

52447115

Analogs

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Popular Name: N-[(1S)-1-(2,5-difluorophenyl)ethyl]-N,1-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1S)-1-(2,5-difluorophenyl)et…

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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)	2.53	9.22	-10.3	0	5	0	47	303.316	3	↓ MOL2 SDF SMILES Flexibase

52447119

Analogs

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Popular Name: N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N,1-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1R)-1-(2,5-difluorophenyl)et…

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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)	2.53	9.2	-10.1	0	5	0	47	303.316	3	↓ MOL2 SDF SMILES Flexibase

52472049

Analogs

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Popular Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-N,1-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1S)-1-(3-chlorophenyl)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)	2.92	10.13	-9.89	0	5	0	47	301.781	3	↓ MOL2 SDF SMILES Flexibase

52472051

Analogs

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Popular Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-N,1-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1R)-1-(3-chlorophenyl)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)	2.92	9.99	-9.73	0	5	0	47	301.781	3	↓ MOL2 SDF SMILES Flexibase

52472432

Analogs

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Popular Name: N-[(2-ethoxyphenyl)methyl]-N,1-dimethyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(2-ethoxyphenyl)methyl]-N,1-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)	2.10	9.23	-8.92	0	6	0	56	297.362	5	↓ MOL2 SDF SMILES Flexibase

14260874

Analogs

14260875

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Popular Name: N-[(1R)-1-(4-methoxyphenyl)propyl]-1-methyl-pyrazolo[4,5-e]pyrimidin-4-amine N-[(1R)-1-(4-methoxyphenyl)propy…

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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)	2.59	8.17	-9.68	1	6	0	65	297.362	5	↓ MOL2 SDF SMILES Flexibase

14260875

Analogs

14260874

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Popular Name: N-[(1S)-1-(4-methoxyphenyl)propyl]-1-methyl-pyrazolo[4,5-e]pyrimidin-4-amine N-[(1S)-1-(4-methoxyphenyl)propy…

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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)	2.59	8.18	-9.67	1	6	0	65	297.362	5	↓ MOL2 SDF SMILES Flexibase

63001520

Analogs

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Popular Name: (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-phenyl-ethanol (2R)-2-[(1-methylpyrazolo[3,4-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)	1.02	4.87	-9.04	2	6	0	76	269.308	4	↓ MOL2 SDF SMILES Flexibase

63001521

Analogs

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Popular Name: (2S)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-phenyl-ethanol (2S)-2-[(1-methylpyrazolo[3,4-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)	1.02	4.87	-9.09	2	6	0	76	269.308	4	↓ MOL2 SDF SMILES Flexibase

63736979

Analogs

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Popular Name: 4-[[2-methoxyethyl-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzonitrile 4-[[2-methoxyethyl-(1-methylpyra…

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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)	1.45	9.15	-12.46	0	7	0	80	322.372	6	↓ MOL2 SDF SMILES Flexibase

69565635

Analogs

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Popular Name: 3-[(1S)-1-[methyl-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide 3-[(1S)-1-[methyl-(1-methylpyraz…

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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	4.57	-19.34	2	8	0	107	346.416	4	↓ MOL2 SDF SMILES Flexibase

69565637

Analogs

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Popular Name: 3-[(1R)-1-[methyl-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide 3-[(1R)-1-[methyl-(1-methylpyraz…

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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	4.43	-16.12	2	8	0	107	346.416	4	↓ MOL2 SDF SMILES Flexibase

65593362

Analogs

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Popular Name: N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[[4-fluoro-2-(trifluoromethyl)…

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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	8.51	-9.94	1	5	0	56	325.269	4	↓ MOL2 SDF SMILES Flexibase

69771152

Analogs

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Popular Name: (2R)-2-[(3-bromo-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-phenyl-ethanol (2R)-2-[(3-bromo-1-methyl-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)	1.95	5.45	-8.48	2	6	0	76	348.204	4	↓ MOL2 SDF SMILES Flexibase

69771155

Analogs

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Popular Name: (2S)-2-[(3-bromo-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-phenyl-ethanol (2S)-2-[(3-bromo-1-methyl-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)	1.95	5.46	-8.51	2	6	0	76	348.204	4	↓ MOL2 SDF SMILES Flexibase

69773218

Analogs

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Popular Name: methyl methyl

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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	8.33	-13.77	1	7	0	82	315.308	6	↓ MOL2 SDF SMILES Flexibase

70007463

Analogs

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Popular Name: N-[[4-[ethyl(methyl)amino]-3-fluoro-phenyl]methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[[4-[ethyl(methyl)amino]-3-flu…

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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)	2.04	9.07	-9.7	1	6	0	59	314.368	5	↓ MOL2 SDF SMILES Flexibase

41471480

Analogs

41471482

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Popular Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1S)-1-(4-methoxyphenyl)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)	2.08	7.36	-9.85	1	6	0	65	283.335	4	↓ MOL2 SDF SMILES Flexibase

41471482

Analogs

41471480

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Popular Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine N-[(1R)-1-(4-methoxyphenyl)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)	2.08	7.34	-9.86	1	6	0	65	283.335	4	↓ MOL2 SDF SMILES Flexibase

49227824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenol 3-[[(1,6-dimethylpyrazolo[3,4-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)	1.05	4.32	-10.45	2	6	0	76	269.308	3	↓ MOL2 SDF SMILES Flexibase

41528586

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-[(2-chlorophenyl)methyl]-3-met…

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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	7.5	-7.83	2	5	0	66	305.794	4	↓ MOL2 SDF SMILES Flexibase

41528589

Analogs

34333028

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Popular Name: 3-methylsulfanyl-N-(p-tolylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 3-methylsulfanyl-N-(p-tolylmethy…

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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)	2.57	7.76	-6.93	2	5	0	66	285.376	4	↓ MOL2 SDF SMILES Flexibase

41528592

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-[(4-fluorophenyl)methyl]-3-met…

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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)	2.28	7.15	-7.53	2	5	0	66	289.339	4	↓ MOL2 SDF SMILES Flexibase

41528595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methoxyphenyl)methyl]-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-[(4-methoxyphenyl)methyl]-3-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)	2.18	6.38	-8.16	2	6	0	76	301.375	5	↓ MOL2 SDF SMILES Flexibase

41528623

Analogs

41528626

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(methylthio)-N-(1-phenylethyl)- 1H-Pyrazolo[3,4-d]pyrimidin-4-am…

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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)	2.68	7.92	-7.16	2	5	0	66	285.376	4	↓ MOL2 SDF SMILES Flexibase

41528626

Analogs

41528623

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(methylthio)-N-(1-phenylethyl)- 1H-Pyrazolo[3,4-d]pyrimidin-4-am…

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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)	2.68	7.92	-7.16	2	5	0	66	285.376	4	↓ MOL2 SDF SMILES Flexibase

41528629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-methyl-3-(methylthio)-N-(phenylmethyl)- 1H-Pyrazolo[3,4-d]pyrimidin-4-am…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.37	8.7	-7.22	1	5	0	58	285.376	4	↓ MOL2 SDF SMILES Flexibase

41528632

Analogs

41528638

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Popular Name: N-benzyl-N-ethyl-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-benzyl-N-ethyl-3-methylsulfany…

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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	9.35	-7.19	1	5	0	58	299.403	5	↓ MOL2 SDF SMILES Flexibase

41528635

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-[(4-methoxyphenyl)methyl]-N-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)	2.42	8	-8.56	1	6	0	67	315.402	5	↓ MOL2 SDF SMILES Flexibase

41528641

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-N-methyl-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-[(4-fluorophenyl)methyl]-N-met…

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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)	2.53	8.77	-8.19	1	5	0	58	303.366	4	↓ MOL2 SDF SMILES Flexibase

41528644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-[(3,4-dimethoxyphenyl)methyl]-…

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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)	2.01	7.89	-11.36	1	7	0	76	345.428	6	↓ MOL2 SDF SMILES Flexibase

41528647

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-N-methyl-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-[(4-chlorophenyl)methyl]-N-met…

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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)	3.04	9.22	-7.49	1	5	0	58	319.821	4	↓ MOL2 SDF SMILES Flexibase

41528650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-N-methyl-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-[(2-fluorophenyl)methyl]-N-met…

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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	8.66	-9.7	1	5	0	58	303.366	4	↓ MOL2 SDF SMILES Flexibase

41528653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-[(3-fluorophenyl)methyl]-N-met…

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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	8.77	-9.29	1	5	0	58	303.366	4	↓ MOL2 SDF SMILES Flexibase

41528822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methylsulfanyl-N-(o-tolylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 3-methylsulfanyl-N-(o-tolylmethy…

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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	7.8	-6.82	2	5	0	66	285.376	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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