ZINC 12

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ZINC Item

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12226783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-isopropylphenyl)amino]-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(4-isopropylphenyl)amino]-1,3…

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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)	3.73	1.31	-8.96	1	6	0	69	338.411	3	↓ MOL2 SDF SMILES Flexibase

12226788

Analogs

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Popular Name: 5-[(3-fluorophenyl)amino]-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3-fluorophenyl)amino]-1,3,6-…

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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)	2.35	1.25	-9.21	1	6	0	69	314.32	2	↓ MOL2 SDF SMILES Flexibase

12226794

Analogs

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Popular Name: 5-[(4-fluorophenyl)amino]-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(4-fluorophenyl)amino]-1,3,6-…

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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)	2.38	1.25	-9.92	1	6	0	69	314.32	2	↓ MOL2 SDF SMILES Flexibase

12226797

Analogs

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Popular Name: 1,3,6-trimethyl-5-[[3-(trifluoromethyl)phenyl]amino]pyrido[3,2-e]pyrimidine-2,4-dione 1,3,6-trimethyl-5-[[3-(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)	3.09	2.69	-9.12	1	6	0	69	364.327	3	↓ MOL2 SDF SMILES Flexibase

12226801

Analogs

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Popular Name: 5-[(2-methoxyphenyl)amino]-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(2-methoxyphenyl)amino]-1,3,6…

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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)	2.22	0.64	-10.04	1	7	0	78	326.356	3	↓ MOL2 SDF SMILES Flexibase

12226806

Analogs

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Popular Name: 5-[(3-methoxyphenyl)amino]-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3-methoxyphenyl)amino]-1,3,6…

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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)	2.25	0.53	-10.36	1	7	0	78	326.356	3	↓ MOL2 SDF SMILES Flexibase

12226810

Analogs

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Popular Name: 5-[(4-methoxyphenyl)amino]-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(4-methoxyphenyl)amino]-1,3,6…

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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)	2.27	0.52	-10.39	1	7	0	78	326.356	3	↓ MOL2 SDF SMILES Flexibase

12226819

Analogs

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Popular Name: 5-[(4-dimethylaminophenyl)amino]-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(4-dimethylaminophenyl)amino]…

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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	0.38	-10.01	1	7	0	72	339.399	3	↓ MOL2 SDF SMILES Flexibase

12226825

Analogs

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Popular Name: 5-[(3,4-difluorophenyl)amino]-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3,4-difluorophenyl)amino]-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)	2.47	1.98	-10.29	1	6	0	69	332.31	2	↓ MOL2 SDF SMILES Flexibase

12226832

Analogs

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Popular Name: 5-[(3-chloro-4-fluoro-phenyl)amino]-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3-chloro-4-fluoro-phenyl)ami…

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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)	2.98	1.09	-9.62	1	6	0	69	348.765	2	↓ MOL2 SDF SMILES Flexibase

12226838

Analogs

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Popular Name: 5-[(3,4-dimethoxyphenyl)amino]-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3,4-dimethoxyphenyl)amino]-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)	1.86	0.85	-12.71	1	8	0	87	356.382	4	↓ MOL2 SDF SMILES Flexibase

12226843

Analogs

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Popular Name: 5-[(3-fluoro-4-methyl-phenyl)amino]-1,3,6-trimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3-fluoro-4-methyl-phenyl)ami…

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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	1.53	-9.39	1	6	0	69	328.347	2	↓ MOL2 SDF SMILES Flexibase

12226884

Analogs

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Popular Name: 4-[(1,3,6-trimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)amino]benzamide 4-[(1,3,6-trimethyl-2,4-dioxo-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)	1.03	-2.17	-14.49	3	8	0	112	339.355	3	↓ MOL2 SDF SMILES Flexibase

12227085

Analogs

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Popular Name: 6-ethyl-5-[(4-isopropylphenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-5-[(4-isopropylphenyl)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)	4.19	1.48	-7.87	1	6	0	69	352.438	4	↓ MOL2 SDF SMILES Flexibase

12227091

Analogs

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Popular Name: 6-ethyl-5-[(3-fluorophenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-5-[(3-fluorophenyl)amino…

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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)	2.82	1.42	-9.82	1	6	0	69	328.347	3	↓ MOL2 SDF SMILES Flexibase

12227096

Analogs

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Popular Name: 6-ethyl-5-[(4-fluorophenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-5-[(4-fluorophenyl)amino…

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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)	2.84	1.41	-8.3	1	6	0	69	328.347	3	↓ MOL2 SDF SMILES Flexibase

12227097

Analogs

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Popular Name: 6-ethyl-1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]amino]pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-1,3-dimethyl-5-[[3-(trif…

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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)	3.55	2.85	-9.98	1	6	0	69	378.354	4	↓ MOL2 SDF SMILES Flexibase

12227103

Analogs

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Popular Name: 6-ethyl-5-[(2-methoxyphenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-5-[(2-methoxyphenyl)amin…

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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)	2.69	0.66	-9.82	1	7	0	78	340.383	4	↓ MOL2 SDF SMILES Flexibase

12227112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-5-[(3-methoxyphenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-5-[(3-methoxyphenyl)amin…

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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)	2.71	0.73	-11.04	1	7	0	78	340.383	4	↓ MOL2 SDF SMILES Flexibase

12227119

Analogs

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Popular Name: 6-ethyl-5-[(4-methoxyphenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-5-[(4-methoxyphenyl)amin…

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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	0.68	-9.34	1	7	0	78	340.383	4	↓ MOL2 SDF SMILES Flexibase

12227122

Analogs

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Popular Name: 5-[(4-dimethylaminophenyl)amino]-6-ethyl-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(4-dimethylaminophenyl)amino]…

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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	0.65	-8.98	1	7	0	72	353.426	4	↓ MOL2 SDF SMILES Flexibase

12227127

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)	2.85	1.84	-11.89	1	8	0	95	368.393	5	↓ MOL2 SDF SMILES Flexibase

12227139

Analogs

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Popular Name: 5-[(3,4-difluorophenyl)amino]-6-ethyl-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3,4-difluorophenyl)amino]-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)	2.94	0.64	-18.21	1	6	0	69	346.337	3	↓ MOL2 SDF SMILES Flexibase

12227144

Analogs

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Popular Name: 5-[(2,5-difluorophenyl)amino]-6-ethyl-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(2,5-difluorophenyl)amino]-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)	2.94	2.01	-9.4	1	6	0	69	346.337	3	↓ MOL2 SDF SMILES Flexibase

12227150

Analogs

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Popular Name: 5-[(2,4-dimethoxyphenyl)amino]-6-ethyl-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(2,4-dimethoxyphenyl)amino]-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)	2.72	-0.7	-19.13	1	8	0	87	370.409	5	↓ MOL2 SDF SMILES Flexibase

12227167

Analogs

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Popular Name: 6-ethyl-5-[(3-fluoro-4-methyl-phenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-5-[(3-fluoro-4-methyl-ph…

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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)	3.22	0.19	-17.37	1	6	0	69	342.374	3	↓ MOL2 SDF SMILES Flexibase

12227206

Analogs

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Popular Name: 4-[(6-ethyl-1,3-dimethyl-2,4-dioxo-pyrido[3,2-e]pyrimidin-5-yl)amino]benzenesulfonamide 4-[(6-ethyl-1,3-dimethyl-2,4-dio…

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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)	1.37	-5.57	-14.63	3	9	0	129	389.437	4	↓ MOL2 SDF SMILES Flexibase

12227437

Analogs

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Popular Name: 5-[(4-isopropylphenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(4-isopropylphenyl)amino]-1,3…

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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)	3.30	0.72	-9.24	1	6	0	69	324.384	3	↓ MOL2 SDF SMILES Flexibase

12227445

Analogs

344198

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Popular Name: 5-[(2-fluorophenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(2-fluorophenyl)amino]-1,3-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)	1.90	0.92	-9.02	1	6	0	69	300.293	2	↓ MOL2 SDF SMILES Flexibase

12227449

Analogs

344198
2380570

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Popular Name: 5-[(3-fluorophenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3-fluorophenyl)amino]-1,3-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)	1.92	0.87	-8.97	1	6	0	69	300.293	2	↓ MOL2 SDF SMILES Flexibase

12227453

Analogs

344198
2380570

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Popular Name: 5-[(4-fluorophenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(4-fluorophenyl)amino]-1,3-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)	1.95	0.66	-10.27	1	6	0	69	300.293	2	↓ MOL2 SDF SMILES Flexibase

12227457

Analogs

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Popular Name: 1,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]amino]pyrido[3,2-e]pyrimidine-2,4-dione 1,3-dimethyl-5-[[3-(trifluoromet…

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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)	2.66	2.22	-9.33	1	6	0	69	350.3	3	↓ MOL2 SDF SMILES Flexibase

12227460

Analogs

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Popular Name: 1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]amino]pyrido[3,2-e]pyrimidine-2,4-dione 1,3-dimethyl-5-[[4-(trifluoromet…

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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	2.21	-7.99	1	6	0	69	350.3	3	↓ MOL2 SDF SMILES Flexibase

12227463

Analogs

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Popular Name: 5-[(2-methoxyphenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(2-methoxyphenyl)amino]-1,3-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)	1.79	0.27	-9.21	1	7	0	78	312.329	3	↓ MOL2 SDF SMILES Flexibase

12227468

Analogs

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Popular Name: 5-[(3-methoxyphenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3-methoxyphenyl)amino]-1,3-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)	1.82	-0.06	-11.16	1	7	0	78	312.329	3	↓ MOL2 SDF SMILES Flexibase

12227474

Analogs

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Popular Name: 5-[(4-methoxyphenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(4-methoxyphenyl)amino]-1,3-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)	1.84	0.05	-8.67	1	7	0	78	312.329	3	↓ MOL2 SDF SMILES Flexibase

12227476

Analogs

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Popular Name: 1,3-dimethyl-5-[[4-(trifluoromethoxy)phenyl]amino]pyrido[3,2-e]pyrimidine-2,4-dione 1,3-dimethyl-5-[[4-(trifluoromet…

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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	1.57	-7.4	1	7	0	78	366.299	4	↓ MOL2 SDF SMILES Flexibase

12227482

Analogs

2380570

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Popular Name: 5-[(4-dimethylaminophenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(4-dimethylaminophenyl)amino]…

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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)	1.89	0.01	-8.27	1	7	0	72	325.372	3	↓ MOL2 SDF SMILES Flexibase

12227486

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)	1.96	1.05	-13.34	1	8	0	95	340.339	4	↓ MOL2 SDF SMILES Flexibase

12227500

Analogs

344198

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Popular Name: 5-[(2,4-difluorophenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(2,4-difluorophenyl)amino]-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)	2.04	1.54	-9.95	1	6	0	69	318.283	2	↓ MOL2 SDF SMILES Flexibase

12227503

Analogs

344198
2380570

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Popular Name: 5-[(3,4-difluorophenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3,4-difluorophenyl)amino]-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)	2.04	1.47	-11.35	1	6	0	69	318.283	2	↓ MOL2 SDF SMILES Flexibase

12227509

Analogs

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Popular Name: 5-[(2,5-difluorophenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(2,5-difluorophenyl)amino]-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)	2.04	1.53	-8.54	1	6	0	69	318.283	2	↓ MOL2 SDF SMILES Flexibase

12227514

Analogs

344198
2380570

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Popular Name: 5-[(3-chloro-4-fluoro-phenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3-chloro-4-fluoro-phenyl)ami…

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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)	2.55	0.58	-10.56	1	6	0	69	334.738	2	↓ MOL2 SDF SMILES Flexibase

12227517

Analogs

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Popular Name: 5-[(3,4-dimethoxyphenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3,4-dimethoxyphenyl)amino]-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)	1.43	0.47	-10.96	1	8	0	87	342.355	4	↓ MOL2 SDF SMILES Flexibase

12227522

Analogs

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Popular Name: 5-[(2,4-dimethoxyphenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(2,4-dimethoxyphenyl)amino]-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)	1.83	0.19	-11.24	1	8	0	87	342.355	4	↓ MOL2 SDF SMILES Flexibase

12227526

Analogs

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Popular Name: 5-[(2,5-dimethoxyphenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(2,5-dimethoxyphenyl)amino]-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)	1.83	0.19	-10.4	1	8	0	87	342.355	4	↓ MOL2 SDF SMILES Flexibase

12227541

Analogs

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Popular Name: 5-[(3-fluoro-4-methyl-phenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(3-fluoro-4-methyl-phenyl)ami…

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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)	2.33	1.02	-10.29	1	6	0	69	314.32	2	↓ MOL2 SDF SMILES Flexibase

12227546

Analogs

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Popular Name: 5-[(5-chloro-2-methoxy-phenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(5-chloro-2-methoxy-phenyl)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)	2.45	0	-10.61	1	7	0	78	346.774	3	↓ MOL2 SDF SMILES Flexibase

12227549

Analogs

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Popular Name: 5-[(2-methoxy-5-methyl-phenyl)amino]-1,3-dimethyl-pyrido[3,2-e]pyrimidine-2,4-dione 5-[(2-methoxy-5-methyl-phenyl)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)	2.22	0.51	-9.07	1	7	0	78	326.356	3	↓ MOL2 SDF SMILES Flexibase

12227571

Analogs

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Popular Name: 1,3-dimethyl-5-[(2,3,4-trifluorophenyl)amino]pyrido[3,2-e]pyrimidine-2,4-dione 1,3-dimethyl-5-[(2,3,4-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)	2.13	2.25	-10.22	1	6	0	69	336.273	2	↓ MOL2 SDF SMILES Flexibase

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