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ZINC Item

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49917653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-(2-methylsulfonylethylamino)pyrimidin-4-yl]-7,8- N-[3-chloro-4-[(3-fluorophenyl)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)	4.65	13.45	-51.67	3	10	1	123	585.085	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.65	13.06	-24.94	2	10	0	122	584.077	10	↓ MOL2 SDF SMILES Flexibase

19445279

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)	3.73	13.09	-54.16	2	7	1	81	450.538	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.73	10.75	-13.07	1	7	0	80	449.53	8	↓ MOL2 SDF SMILES Flexibase

19445281

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)	3.73	12.65	-54.9	2	7	1	81	450.538	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.73	10.27	-13.11	1	7	0	80	449.53	8	↓ MOL2 SDF SMILES Flexibase

19450211

Analogs

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Popular Name: N-isopropyl-6-[(4-methoxyphenyl)methyl]-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[3,4-e]pyrimidin-4-amine N-isopropyl-6-[(4-methoxyphenyl)…

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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)	3.32	10.78	-54.39	2	6	1	64	390.511	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.32	8.43	-14.85	1	6	0	63	389.503	6	↓ MOL2 SDF SMILES Flexibase

19450413

Analogs

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Popular Name: 6-[(4-fluorophenyl)methyl]-N-(3-isopropoxypropyl)-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[3,4-e]pyrimidi 6-[(4-fluorophenyl)methyl]-N-(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)	3.75	12.27	-58.54	2	6	1	64	436.555	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.75	9.92	-15.1	1	6	0	63	435.547	9	↓ MOL2 SDF SMILES Flexibase

21535028

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-(1-piperidyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-(3-chloro-4-fluoro-phenyl)-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)	4.06	9.82	-14.64	1	6	0	61	389.862	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.06	10.09	-50.36	2	6	1	63	390.87	2	↓ MOL2 SDF SMILES Flexibase

21535030

Analogs

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Popular Name: 2-(1-piperidyl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-(1-piperidyl)-N-[2-(trifluorom…

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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)	4.14	10.53	-11.2	1	6	0	61	405.424	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.14	10.8	-42.04	2	6	1	63	406.432	3	↓ MOL2 SDF SMILES Flexibase

57731529

Analogs

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Popular Name: 4-[benzyl-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]butan-1-ol 4-[benzyl-(6-benzyl-2-methyl-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)	3.26	13.12	-99.99	3	5	2	55	418.585	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.26	10.46	-7.53	1	5	0	52	416.569	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.26	12.72	-39.65	2	5	1	54	417.577	9	↓ MOL2 SDF SMILES Flexibase

57731532

Analogs

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Popular Name: 6-benzyl-N4,N4-bis(2-methoxyethyl)-N2,N2-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine 6-benzyl-N4,N4-bis(2-methoxyethy…

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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)	2.80	12.51	-42.39	1	7	1	55	400.547	10	↓ MOL2 SDF SMILES Flexibase

57731540

Analogs

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Popular Name: 6-benzyl-N,N-bis(2-methoxyethyl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine 6-benzyl-N,N-bis(2-methoxyethyl)…

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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	13.57	-43.32	1	7	1	55	426.585	10	↓ MOL2 SDF SMILES Flexibase

57731549

Analogs

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Popular Name: 2-[[6-benzyl-2-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-butyl-amino]ethanol 2-[[6-benzyl-2-(dimethylamino)-7…

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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	12.49	-43.82	2	6	1	57	384.548	9	↓ MOL2 SDF SMILES Flexibase

4890505

Analogs

1500478

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Popular Name: 9-methyl-N,N-bis(9-methyl-7-pyrrolidin-1-yl-4,8,10-triazabicyclo[4.4.0]deca-6,8,10-trien-5-yl)-7-pyr 9-methyl-N,N-bis(9-methyl-7-pyrr…

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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)	3.15	-0.98	-9.62	1	6	0	61	405.424	3	↓ MOL2 SDF SMILES Flexibase

69138104

Analogs

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Popular Name: 2-methyl-6-[(2-phenyltriazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 2-methyl-6-[(2-phenyltriazol-4-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)	0.99	5.98	-11.69	0	6	0	60	306.373	3	↓ MOL2 SDF SMILES Flexibase

69150428

Analogs

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Popular Name: 6-(2-isopropyl-6-methyl-pyrimidin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-(2-isopropyl-6-methyl-pyrimidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.64	8.51	-32.62	1	5	1	56	284.387	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.64	8.03	-9.41	0	5	0	55	283.379	2	↓ MOL2 SDF SMILES Flexibase

69153740

Analogs

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Popular Name: N-isopropyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-isopropyl-2-phenyl-7,8-dihydro…

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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)	3.07	7.63	-13.13	1	5	0	58	296.374	2	↓ MOL2 SDF SMILES Flexibase

69161146

Analogs

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Popular Name: 6-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-[(1,3-dimethylpyrazolo[3,4-b]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)	0.62	5.71	-13.2	0	6	0	60	308.389	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.62	7.97	-60.15	1	6	1	61	309.397	2	↓ MOL2 SDF SMILES Flexibase

69179664

Analogs

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Popular Name: 5-tert-butyl-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole 5-tert-butyl-3-[(2-methyl-7,8-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)	1.37	3.4	-9.92	0	6	0	68	287.367	3	↓ MOL2 SDF SMILES Flexibase

64542149

Analogs

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Popular Name: 1-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one 1-[2-(4-methoxyphenyl)-7,8-dihyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	7.13	-13.6	0	5	0	55	297.358	3	↓ MOL2 SDF SMILES Flexibase

64542150

Analogs

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Popular Name: cyclopropyl-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone cyclopropyl-[2-(4-fluorophenyl)-…

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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	8.62	-11.81	0	4	0	46	297.333	2	↓ MOL2 SDF SMILES Flexibase

64542151

Analogs

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Popular Name: 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one 1-[2-(4-fluorophenyl)-7,8-dihydr…

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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)	3.11	8.66	-12	0	4	0	46	299.349	3	↓ MOL2 SDF SMILES Flexibase

64542152

Analogs

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Popular Name: 3-methyl-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one 3-methyl-1-(2-phenyl-7,8-dihydro…

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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)	3.17	9.21	-12.34	0	4	0	46	295.386	3	↓ MOL2 SDF SMILES Flexibase

64542153

Analogs

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Popular Name: 2-methyl-1-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one 2-methyl-1-(2-phenyl-7,8-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	8.19	-12.54	0	4	0	46	281.359	2	↓ MOL2 SDF SMILES Flexibase

64542154

Analogs

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Popular Name: cyclohexyl-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone cyclohexyl-(2-methyl-7,8-dihydro…

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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)	1.77	6.78	-10.65	0	4	0	46	259.353	1	↓ MOL2 SDF SMILES Flexibase

64542155

Analogs

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Popular Name: (3-methoxyphenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (3-methoxyphenyl)-(2-methyl-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)	0.76	5.76	-10.95	0	5	0	55	283.331	2	↓ MOL2 SDF SMILES Flexibase

64542156

Analogs

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Popular Name: 2-(3-methoxyphenyl)-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone 2-(3-methoxyphenyl)-1-(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)	1.32	6.84	-14.48	0	5	0	55	297.358	3	↓ MOL2 SDF SMILES Flexibase

64542157

Analogs

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Popular Name: (2-methoxyphenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (2-methoxyphenyl)-(2-methyl-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)	1.28	6.53	-14.82	0	5	0	55	283.331	2	↓ MOL2 SDF SMILES Flexibase

64542158

Analogs

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Popular Name: 2-cyclohexyl-1-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone 2-cyclohexyl-1-(2-methyl-7,8-dih…

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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	7.82	-10.81	0	4	0	46	273.38	2	↓ MOL2 SDF SMILES Flexibase

64542159

Analogs

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Popular Name: (3-chlorophenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (3-chlorophenyl)-(2-methyl-7,8-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)	1.38	6.97	-9.78	0	4	0	46	287.75	1	↓ MOL2 SDF SMILES Flexibase

64542160

Analogs

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Popular Name: (3,4-difluorophenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (3,4-difluorophenyl)-(2-methyl-7…

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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)	0.98	6.58	-10.29	0	4	0	46	289.285	1	↓ MOL2 SDF SMILES Flexibase

64542161

Analogs

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Popular Name: (4-fluorophenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (4-fluorophenyl)-(2-methyl-7,8-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)	0.89	6.53	-11.63	0	4	0	46	271.295	1	↓ MOL2 SDF SMILES Flexibase

64542162

Analogs

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Popular Name: (3,5-difluorophenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (3,5-difluorophenyl)-(2-methyl-7…

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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)	0.98	6.59	-10.35	0	4	0	46	289.285	1	↓ MOL2 SDF SMILES Flexibase

64542163

Analogs

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Popular Name: (2,4-dimethylphenyl)-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (2,4-dimethylphenyl)-(2-methyl-7…

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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	7.76	-10.71	0	4	0	46	281.359	1	↓ MOL2 SDF SMILES Flexibase

64542164

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Popular Name: N-ethyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-ethyl-2-phenyl-7,8-dihydro-5H-…

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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)	2.77	6.8	-13.19	1	5	0	58	282.347	2	↓ MOL2 SDF SMILES Flexibase

64542165

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Popular Name: N-methyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-methyl-2-phenyl-7,8-dihydro-5H…

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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	5.96	-13.74	1	5	0	58	268.32	1	↓ MOL2 SDF SMILES Flexibase

64542166

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Popular Name: N-cyclohexyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-cyclohexyl-2-methyl-7,8-dihydr…

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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	6.19	-11.67	1	5	0	58	274.368	1	↓ MOL2 SDF SMILES Flexibase

64542167

Analogs

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Popular Name: N-(4-ethylphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-(4-ethylphenyl)-2-methyl-7,8-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)	2.43	7.84	-12.1	1	5	0	58	296.374	2	↓ MOL2 SDF SMILES Flexibase

64542168

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-(3,4-dimethylphenyl)-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)	2.34	7.63	-12.31	1	5	0	58	296.374	1	↓ MOL2 SDF SMILES Flexibase

64542169

Analogs

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Popular Name: 2-methyl-N-(p-tolyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-methyl-N-(p-tolyl)-7,8-dihydro…

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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	7.07	-12.31	1	5	0	58	282.347	1	↓ MOL2 SDF SMILES Flexibase

64542170

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Popular Name: 2-methyl-N-(o-tolyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-methyl-N-(o-tolyl)-7,8-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.91	7.11	-11.93	1	5	0	58	282.347	1	↓ MOL2 SDF SMILES Flexibase

64542171

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Popular Name: N-(3-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-(3-methoxyphenyl)-2-methyl-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)	1.54	5.64	-12.86	1	6	0	67	298.346	2	↓ MOL2 SDF SMILES Flexibase

64542172

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide N-(4-methoxyphenyl)-2-methyl-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)	1.57	5.63	-14.03	1	6	0	67	298.346	2	↓ MOL2 SDF SMILES Flexibase

64542174

Analogs

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Popular Name: 2-methyl-N-(m-tolyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 2-methyl-N-(m-tolyl)-7,8-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.94	7.07	-12.11	1	5	0	58	282.347	1	↓ MOL2 SDF SMILES Flexibase

64542175

Analogs

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Popular Name: 6-(benzenesulfonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 6-(benzenesulfonyl)-2-methyl-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)	1.07	4.55	-12.63	0	5	0	63	289.36	2	↓ MOL2 SDF SMILES Flexibase

65168468

Analogs

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Popular Name: cyclohexyl-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone cyclohexyl-[2-(4-methoxyphenyl)-…

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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)	3.86	9.36	-12.85	0	5	0	55	351.45	3	↓ MOL2 SDF SMILES Flexibase

65168483

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Popular Name: [2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-pyridyl)methanone [2-(4-methoxyphenyl)-7,8-dihydro…

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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)	1.52	7.28	-14.77	0	6	0	68	346.39	3	↓ MOL2 SDF SMILES Flexibase

65168487

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Popular Name: [2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-pyridyl)methanone [2-(4-methoxyphenyl)-7,8-dihydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.57	7.18	-13.21	0	6	0	68	346.39	3	↓ MOL2 SDF SMILES Flexibase

65168492

Analogs

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Popular Name: 2-ethyl-1-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one 2-ethyl-1-[2-(4-methoxyphenyl)-7…

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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)	3.70	8.66	-12.61	0	5	0	55	339.439	5	↓ MOL2 SDF SMILES Flexibase

65168493

Analogs

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Popular Name: 2-cyclopentyl-1-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone 2-cyclopentyl-1-[2-(4-methoxyphe…

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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)	3.62	9.76	-13.14	0	5	0	55	351.45	4	↓ MOL2 SDF SMILES Flexibase

65168495

Analogs

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Popular Name: 1-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methyl-butan-1-one 1-[2-(4-methoxyphenyl)-7,8-dihyd…

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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	8.49	-12.82	0	5	0	55	325.412	4	↓ MOL2 SDF SMILES Flexibase

65168502

Analogs

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Popular Name: 1-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethyl-butan-1-one 1-[2-(4-methoxyphenyl)-7,8-dihyd…

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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)	3.54	9.03	-11.95	0	5	0	55	339.439	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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