ZINC 12

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)	1.75	8.54	-54.63	3	7	1	84	388.517	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.75	5.95	-18.43	2	7	0	83	387.509	7	↓ MOL2 SDF SMILES Flexibase

58312866

Analogs

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Popular Name: N-[[3-(methoxymethyl)phenyl]methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-[[3-(methoxymethyl)phenyl]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)	1.13	5.77	-19.15	2	7	0	89	340.383	5	↓ MOL2 SDF SMILES Flexibase

58315866

Analogs

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Popular Name: N-[3-(difluoromethoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-[3-(difluoromethoxy)phenyl]-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)	2.09	5.38	-24.42	2	7	0	89	348.309	4	↓ MOL2 SDF SMILES Flexibase

58317382

Analogs

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Popular Name: N-[[4-(butanoylamino)phenyl]methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-[[4-(butanoylamino)phenyl]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)	1.82	6.52	-23.51	3	8	0	109	381.436	6	↓ MOL2 SDF SMILES Flexibase

58329310

Analogs

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Popular Name: 1,6-dimethyl-3-oxo-N-(6-quinolyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide 1,6-dimethyl-3-oxo-N-(6-quinolyl…

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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)	1.48	6.19	-24.76	2	7	0	93	333.351	2	↓ MOL2 SDF SMILES Flexibase

58332240

Analogs

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Popular Name: N-[(3-ethoxyphenyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-[(3-ethoxyphenyl)methyl]-1,6-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)	1.61	6.27	-19.61	2	7	0	89	340.383	5	↓ MOL2 SDF SMILES Flexibase

58333961

Analogs

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Popular Name: N-[[3-(butanoylamino)phenyl]methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-[[3-(butanoylamino)phenyl]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)	1.79	6.53	-24.29	3	8	0	109	381.436	6	↓ MOL2 SDF SMILES Flexibase

58336109

Analogs

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Popular Name: 1,6-dimethyl-3-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxamide 1,6-dimethyl-3-oxo-N-[2-(trifluo…

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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)	3.88	4.83	-20.37	2	6	0	80	334.323	5	↓ MOL2 SDF SMILES Flexibase

58349187

Analogs

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Popular Name: 1,6-dimethyl-N-(4-methyl-2-pyridyl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide 1,6-dimethyl-N-(4-methyl-2-pyrid…

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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)	1.00	6.19	-25.03	2	7	0	93	297.318	2	↓ MOL2 SDF SMILES Flexibase

58350062

Analogs

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Popular Name: N-[[6-(diethylamino)-3-pyridyl]methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-[[6-(diethylamino)-3-pyridyl]m…

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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)	1.16	8.09	-46.81	3	8	1	97	369.449	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.16	7.72	-19.73	2	8	0	96	368.441	6	↓ MOL2 SDF SMILES Flexibase

58350597

Analogs

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Popular Name: N-[[2-[[isopropyl(methyl)amino]methyl]phenyl]methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4 N-[[2-[[isopropyl(methyl)amino]m…

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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)	1.63	9.94	-47.99	3	7	1	84	382.488	6	↓ MOL2 SDF SMILES Flexibase

58517729

Analogs

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Popular Name: ethyl 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)	0.04	4.06	-16.95	2	8	0	106	292.295	5	↓ MOL2 SDF SMILES Flexibase

58529920

Analogs

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Popular Name: N-[4-(difluoromethoxy)-3-fluoro-phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-[4-(difluoromethoxy)-3-fluoro-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	5.44	-22.41	2	7	0	89	366.299	4	↓ MOL2 SDF SMILES Flexibase

58531862

Analogs

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Popular Name: N-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxami N-[1-[(4-fluorophenyl)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)	1.78	9.19	-59.14	3	7	1	84	398.462	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.78	6.93	-20.34	2	7	0	83	397.454	4	↓ MOL2 SDF SMILES Flexibase

58533759

Analogs

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Popular Name: N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxam N-[4-chloro-3-(cyclopropylcarbam…

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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)	1.66	6.3	-25.14	3	8	0	109	399.838	4	↓ MOL2 SDF SMILES Flexibase

58565081

Analogs

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Popular Name: N-(2-ethyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-(2-ethyl-1,3-benzoxazol-5-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)	2.06	4.22	-21.33	2	8	0	106	351.366	3	↓ MOL2 SDF SMILES Flexibase

58567199

Analogs

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Popular Name: N-[4-(cyclopentylcarbamoyl)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-[4-(cyclopentylcarbamoyl)pheny…

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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)	2.09	7.1	-22.58	3	8	0	109	393.447	4	↓ MOL2 SDF SMILES Flexibase

60556924

Analogs

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Popular Name: 4-(4-isopentylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one 4-(4-isopentylpiperazine-1-carbo…

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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)	1.12	7.81	-55.48	2	7	1	75	346.455	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.12	5.56	-19.22	1	7	0	74	345.447	4	↓ MOL2 SDF SMILES Flexibase

13682213

Analogs

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Popular Name: 2-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-one 2-(4,6-dimethylpyrimidin-2-yl)-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)	3.23	8.17	-19.37	1	7	0	86	347.378	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.77	9.85	-17.7	1	7	0	86	347.378	3	↓ MOL2 SDF SMILES Flexibase

4736693

Analogs

10157152

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Popular Name: 2-(3-nitrophenyl)-8-phenyl-5,7,8-triazabicyclo[4.3.0]nona-2,4,10-trien-9-one 2-(3-nitrophenyl)-8-phenyl-5,7,8…

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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)	3.63	8.13	-17.65	1	7	0	97	332.319	3	↓ MOL2 SDF SMILES Flexibase

4736694

Analogs

10157153

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Popular Name: 5,8-diphenyl-2,8,9-triazabicyclo[4.3.0]nona-1,3,5-trien-7-one 5,8-diphenyl-2,8,9-triazabicyclo…

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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)	3.24	9.44	-11.59	1	4	0	51	287.322	2	↓ MOL2 SDF SMILES Flexibase

4736747

Analogs

4975252
173061

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Popular Name: 2-(1-naphthyl)-8-phenyl-5,7,8-triazabicyclo[4.3.0]nona-2,4,10-trien-9-one 2-(1-naphthyl)-8-phenyl-5,7,8-tr…

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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)	4.86	9.88	-13.78	1	4	0	51	337.382	2	↓ MOL2 SDF SMILES Flexibase

4736748

Analogs

10157154

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Popular Name: 5-(o-tolyl)-8-phenyl-2,8,9-triazabicyclo[4.3.0]nona-1,3,5-trien-7-one 5-(o-tolyl)-8-phenyl-2,8,9-triaz…

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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)	3.64	9.8	-11.16	1	4	0	51	301.349	2	↓ MOL2 SDF SMILES Flexibase

4736749

Analogs

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Popular Name: 2-(4-nitrophenyl)-8-phenyl-5,7,8-triazabicyclo[4.3.0]nona-2,4,10-trien-9-one 2-(4-nitrophenyl)-8-phenyl-5,7,8…

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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)	3.20	10.15	-14.05	1	7	0	97	332.319	3	↓ MOL2 SDF SMILES Flexibase

4736750

Analogs

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Popular Name: 2-(2-furyl)-8-phenyl-5,7,8-triazabicyclo[4.3.0]nona-2,4,10-trien-9-one 2-(2-furyl)-8-phenyl-5,7,8-triaz…

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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)	2.38	7.69	-14.57	1	5	0	64	277.283	2	↓ MOL2 SDF SMILES Flexibase

68916640

Analogs

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Popular Name: N-[4-(4-cyanophenoxy)phenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-[4-(4-cyanophenoxy)phenyl]-1,6…

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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)	3.01	9.11	-23.2	2	8	0	113	399.41	4	↓ MOL2 SDF SMILES Flexibase

62640118

Analogs

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Popular Name: N-(6-methoxy-3-pyridyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide N-(6-methoxy-3-pyridyl)-2-(1,4,6…

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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)	1.30	2.23	-20.33	2	8	0	102	341.371	4	↓ MOL2 SDF SMILES Flexibase

66651082

Analogs

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Popular Name: N-[(1R)-2-(2,4-dimethylphenyl)-1-methyl-ethyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5- N-[(1R)-2-(2,4-dimethylphenyl)-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)	3.23	8.37	-18.89	2	6	0	80	380.492	5	↓ MOL2 SDF SMILES Flexibase

66651083

Analogs

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Popular Name: N-[(1S)-2-(2,4-dimethylphenyl)-1-methyl-ethyl]-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5- N-[(1S)-2-(2,4-dimethylphenyl)-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)	3.23	8.42	-18.33	2	6	0	80	380.492	5	↓ MOL2 SDF SMILES Flexibase

69351946

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide N-(2-methoxyphenyl)-2-(1,4,6-tri…

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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)	1.98	4.92	-17.81	2	7	0	89	340.383	4	↓ MOL2 SDF SMILES Flexibase

69352031

Analogs

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Popular Name: cyclopropylmethyl cyclopropylmethyl

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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)	1.00	5.24	-16.48	2	8	0	106	346.387	7	↓ MOL2 SDF SMILES Flexibase

69352160

Analogs

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Popular Name: N-(m-tolyl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide N-(m-tolyl)-2-(1,4,6-trimethyl-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)	2.39	6.15	-18.59	2	6	0	80	324.384	3	↓ MOL2 SDF SMILES Flexibase

63254095

Analogs

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Popular Name: N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-[(1S)-1-(3-ethoxyphenyl)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)	2.17	7.08	-21.79	2	7	0	89	354.41	5	↓ MOL2 SDF SMILES Flexibase

69460998

Analogs

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Popular Name: 1,6-dimethyl-N-[(1R)-1-(5-methyl-2-furyl)ethyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide 1,6-dimethyl-N-[(1R)-1-(5-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)	1.24	5.78	-18.17	2	7	0	93	314.345	3	↓ MOL2 SDF SMILES Flexibase

69461002

Analogs

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Popular Name: 1,6-dimethyl-N-[(1S)-1-(5-methyl-2-furyl)ethyl]-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide 1,6-dimethyl-N-[(1S)-1-(5-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)	1.24	5.78	-18.11	2	7	0	93	314.345	3	↓ MOL2 SDF SMILES Flexibase

69461504

Analogs

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Popular Name: N-(2-isopropylpyrazol-3-yl)-2-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide N-(2-isopropylpyrazol-3-yl)-2-(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)	1.28	5.77	-21.54	2	8	0	98	342.403	4	↓ MOL2 SDF SMILES Flexibase

69463268

Analogs

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Popular Name: N-ethyl-1,6-dimethyl-N-(2-methylallyl)-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide N-ethyl-1,6-dimethyl-N-(2-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)	1.14	5.53	-19.47	1	6	0	71	288.351	4	↓ MOL2 SDF SMILES Flexibase

69485111

Analogs

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Popular Name: 1,6-dimethyl-3-oxo-N-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2H-pyrazolo[3,4-b]pyridine-4-carbox 1,6-dimethyl-3-oxo-N-[5-(trifluo…

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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)	0.28	5.54	-55.78	2	9	-1	120	340.245	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.28	5.93	-71.71	3	9	0	121	341.253	3	↓ MOL2 SDF SMILES Flexibase

69485205

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Popular Name: 1,6-dimethyl-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one 1,6-dimethyl-4-[(3S)-3-pyrazol-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)	0.04	5.26	-25.45	1	8	0	89	340.387	2	↓ MOL2 SDF SMILES Flexibase

69485206

Analogs

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Popular Name: 1,6-dimethyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-2H-pyrazolo[3,4-b]pyridin-3-one 1,6-dimethyl-4-[(3R)-3-pyrazol-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)	0.04	5.27	-23.87	1	8	0	89	340.387	2	↓ MOL2 SDF SMILES Flexibase

66839685

Analogs

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Popular Name: N'-[2-(2-fluorophenyl)acetyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carbohydrazide N'-[2-(2-fluorophenyl)acetyl]-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)	0.80	5.47	-20.89	3	8	0	109	357.345	4	↓ MOL2 SDF SMILES Flexibase

66840472

Analogs

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Popular Name: 2-cyclopentyl-N-[1-(1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-4-piperidyl]acetamide 2-cyclopentyl-N-[1-(1,6-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)	1.13	6.39	-23.43	2	8	0	100	399.495	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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