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50661160

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-2,4-dioxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-pyrido[2,3-d]pyrimidin N-[(3-fluorophenyl)methyl]-2,4-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	3.39	-41.22	1	8	-1	111	397.386	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.59	5.33	-10.31	2	8	0	108	398.394	5	↓ MOL2 SDF SMILES Flexibase

50661162

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-2,4-dioxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrido[2,3-d]pyrimidin N-[(3-fluorophenyl)methyl]-2,4-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	3.22	-38.36	1	8	-1	111	397.386	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.59	5.16	-11.2	2	8	0	108	398.394	5	↓ MOL2 SDF SMILES Flexibase

53331205

Analogs

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Popular Name: N-benzyl-N-isopropyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-benzyl-N-isopropyl-2,4-dioxo-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)	1.21	2.61	-45.58	1	7	-1	102	337.359	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.75	4.54	-13.37	2	7	0	99	338.367	4	↓ MOL2 SDF SMILES Flexibase

53345800

Analogs

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Popular Name: 6-(6-nitroindoline-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione 6-(6-nitroindoline-1-carbonyl)-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)	1.23	2.46	-45.57	1	10	-1	148	352.286	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.77	4.39	-18.32	2	10	0	145	353.294	2	↓ MOL2 SDF SMILES Flexibase

53413133

Analogs

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Popular Name: N-benzyl-N-(2-furylmethyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-benzyl-N-(2-furylmethyl)-2,4-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)	1.19	3.57	-39.98	1	8	-1	115	375.364	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.73	5.52	-11.35	2	8	0	112	376.372	5	↓ MOL2 SDF SMILES Flexibase

53434692

Analogs

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Popular Name: N-[3-(difluoromethoxy)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[3-(difluoromethoxy)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)	1.65	-0.37	-44.75	2	8	-1	120	347.257	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.19	1.56	-17.47	3	8	0	117	348.265	4	↓ MOL2 SDF SMILES Flexibase

53455775

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2,4-dioxo-N-pentyl-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[(4-fluorophenyl)methyl]-2,4-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)	2.64	5.06	-40.27	1	7	-1	102	383.403	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.18	6.97	-9.99	2	7	0	99	384.411	7	↓ MOL2 SDF SMILES Flexibase

53462000

Analogs

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Popular Name: N-ethyl-2,4-dioxo-N-phenyl-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-ethyl-2,4-dioxo-N-phenyl-1H-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)	1.68	1.63	-40.29	1	7	-1	102	309.305	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.22	3.56	-11.98	2	7	0	99	310.313	3	↓ MOL2 SDF SMILES Flexibase

53474480

Analogs

25267072

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Popular Name: N-(2-cyclopentylsulfanylphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-(2-cyclopentylsulfanylphenyl)-…

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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	3.85	-40.19	2	7	-1	111	381.437	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.39	5.79	-10.84	3	7	0	108	382.445	4	↓ MOL2 SDF SMILES Flexibase

53475360

Analogs

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Popular Name: 2,4-dioxo-N,N-bis(2-thienylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide 2,4-dioxo-N,N-bis(2-thienylmethy…

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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)	1.73	3.61	-38.95	1	7	-1	102	397.461	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.27	5.54	-10.59	2	7	0	99	398.469	5	↓ MOL2 SDF SMILES Flexibase

53475837

Analogs

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Popular Name: N-allyl-N-benzyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-allyl-N-benzyl-2,4-dioxo-1H-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)	1.18	3.05	-40.51	1	7	-1	102	335.343	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.72	4.97	-11.38	2	7	0	99	336.351	5	↓ MOL2 SDF SMILES Flexibase

53482986

Analogs

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Popular Name: 2,4-dioxo-N-(2-pyrazol-1-ylphenyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide 2,4-dioxo-N-(2-pyrazol-1-ylpheny…

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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	1.91	-44.32	2	9	-1	129	347.314	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.49	3.86	-13.56	3	9	0	126	348.322	3	↓ MOL2 SDF SMILES Flexibase

53509036

Analogs

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Popular Name: N-(2-isopropoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-(2-isopropoxyphenyl)-2,4-dioxo…

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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)	1.80	1.06	-41.01	2	8	-1	120	339.331	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.35	3.04	-11.88	3	8	0	117	340.339	4	↓ MOL2 SDF SMILES Flexibase

62286575

Analogs

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Popular Name: N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[2-ethoxy-5-(trifluoromethyl)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)	2.31	1.42	-42.19	2	8	-1	120	393.301	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.86	3.36	-13.71	3	8	0	117	394.309	5	↓ MOL2 SDF SMILES Flexibase

13008799

Analogs

13008801

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Popular Name: 3-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]pyrido[3,2-e]pyrimidin-4-one 3-[(2R)-2-hydroxy-3-(4-phenylphe…

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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)	2.99	8.82	-20.97	1	6	0	77	373.412	6	↓ MOL2 SDF SMILES Flexibase

13008801

Analogs

13008799

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Popular Name: 3-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]pyrido[3,2-e]pyrimidin-4-one 3-[(2S)-2-hydroxy-3-(4-phenylphe…

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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)	2.99	8.81	-21.13	1	6	0	77	373.412	6	↓ MOL2 SDF SMILES Flexibase

53916404

Analogs

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Popular Name: N-[(2-hydroxyphenyl)methyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[(2-hydroxyphenyl)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)	0.47	0.6	-41.08	2	8	-1	122	325.304	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.02	2.53	-10.78	3	8	0	119	326.312	3	↓ MOL2 SDF SMILES Flexibase

62527810

Analogs

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Popular Name: N-(3-isopropylphenyl)-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-(3-isopropylphenyl)-N-methyl-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	2.87	-40.99	1	7	-1	102	337.359	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.33	4.8	-13.08	2	7	0	99	338.367	3	↓ MOL2 SDF SMILES Flexibase

57963783

Analogs

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Popular Name: 3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one 3-[[5-(4-chlorophenyl)-1,2,4-oxa…

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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)	2.20	7.17	-16.92	0	7	0	87	339.742	3	↓ MOL2 SDF SMILES Flexibase

58305742

Analogs

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Popular Name: 3-fluoro-4-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]benzonitrile 3-fluoro-4-[(4-oxopyrido[2,3-d]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.59	8.61	-21.78	0	5	0	72	280.262	2	↓ MOL2 SDF SMILES Flexibase

58306475

Analogs

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Popular Name: N-cyclopropyl-N-isopentyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-cyclopropyl-N-isopentyl-2,4-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)	1.15	2.18	-39.64	1	7	-1	102	315.353	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.70	4.03	-9.91	2	7	0	99	316.361	5	↓ MOL2 SDF SMILES Flexibase

58307186

Analogs

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Popular Name: N-tert-butyl-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide N-tert-butyl-2-(4-oxopyrido[2,3-…

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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)	0.44	5.17	-19.81	1	6	0	77	260.297	3	↓ MOL2 SDF SMILES Flexibase

58314011

Analogs

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Popular Name: 6-[(4R)-4-propylazepane-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione 6-[(4R)-4-propylazepane-1-carbon…

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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)	1.80	2.95	-38.16	1	7	-1	102	329.38	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.34	4.9	-8.76	2	7	0	99	330.388	3	↓ MOL2 SDF SMILES Flexibase

58314017

Analogs

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Popular Name: 6-[(4S)-4-propylazepane-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione 6-[(4S)-4-propylazepane-1-carbon…

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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)	1.80	2.93	-38.01	1	7	-1	102	329.38	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.34	4.87	-8.7	2	7	0	99	330.388	3	↓ MOL2 SDF SMILES Flexibase

58325352

Analogs

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Popular Name: N-[(1S)-1-methyl-3-phenyl-propyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide N-[(1S)-1-methyl-3-phenyl-propyl…

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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	9.43	-21.52	1	6	0	77	336.395	6	↓ MOL2 SDF SMILES Flexibase

58325355

Analogs

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Popular Name: N-[(1R)-1-methyl-3-phenyl-propyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide N-[(1R)-1-methyl-3-phenyl-propyl…

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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	9.43	-21.88	1	6	0	77	336.395	6	↓ MOL2 SDF SMILES Flexibase

58332070

Analogs

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Popular Name: N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-car N-[5-[3-(4-fluorophenyl)-1H-pyra…

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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)	2.44	5.02	-44.1	2	9	-1	131	449.466	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.98	6.92	-14.39	3	9	0	128	450.474	8	↓ MOL2 SDF SMILES Flexibase

58544254

Analogs

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Popular Name: 3-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one 3-[[4-(trifluoromethyl)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)	2.64	9.2	-15.97	0	4	0	48	305.259	3	↓ MOL2 SDF SMILES Flexibase

14232057

Analogs

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Popular Name: N-benzyl-2-(3-ethyl-4-oxo-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-methyl-acetamide N-benzyl-2-(3-ethyl-4-oxo-pyrido…

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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)	2.20	10.14	-13.71	0	6	0	68	368.462	6	↓ MOL2 SDF SMILES Flexibase

14241645

Analogs

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Popular Name: 3-[3-(2,5-dimethylphenoxy)propyl]pyrido[3,2-e]pyrimidin-4-one 3-[3-(2,5-dimethylphenoxy)propyl…

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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)	2.93	9.97	-16.45	0	5	0	57	309.369	5	↓ MOL2 SDF SMILES Flexibase

14244029

Analogs

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Popular Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide N-[3-(azepan-1-ylsulfonyl)-4-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)	2.06	7.71	-36.09	1	9	0	114	455.54	5	↓ MOL2 SDF SMILES Flexibase

14244030

Analogs

14244031

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Popular Name: 3-[2-[(5S)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethyl]pyrido[3,2-e]p 3-[2-[(5S)-5-(3,4-dimethoxypheny…

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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	10.93	-23.15	0	9	0	99	475.53	6	↓ MOL2 SDF SMILES Flexibase

14244031

Analogs

14244030

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Popular Name: 3-[2-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-4,5-dihydropyrazol-1-yl]-2-oxo-ethyl]pyrido[3,2-e]p 3-[2-[(5R)-5-(3,4-dimethoxypheny…

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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	10.94	-22.85	0	9	0	99	475.53	6	↓ MOL2 SDF SMILES Flexibase

14244437

Analogs

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Popular Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide N-(4-chloro-3-morpholinosulfonyl…

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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)	0.72	4.52	-32.07	1	10	0	124	463.903	5	↓ MOL2 SDF SMILES Flexibase

14253733

Analogs

14253735

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]pyrido[3,2-e]pyrimidin-4-one 3-[(2S)-2-hydroxy-3-(4-propanoyl…

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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)	1.59	6.66	-25.5	1	7	0	94	353.378	7	↓ MOL2 SDF SMILES Flexibase

14253735

Analogs

14253733

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Popular Name: 3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]pyrido[3,2-e]pyrimidin-4-one 3-[(2R)-2-hydroxy-3-(4-propanoyl…

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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)	1.59	6.67	-25.19	1	7	0	94	353.378	7	↓ MOL2 SDF SMILES Flexibase

52507641

Analogs

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Popular Name: N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[(1S)-1-(4-tert-butylphenyl)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)	3.02	3.34	-39.99	2	7	-1	111	365.413	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.57	5.28	-12.07	3	7	0	108	366.421	4	↓ MOL2 SDF SMILES Flexibase

52507644

Analogs

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Popular Name: N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[(1R)-1-(4-tert-butylphenyl)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)	3.02	3.33	-39.99	2	7	-1	111	365.413	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.57	5.27	-12.08	3	7	0	108	366.421	4	↓ MOL2 SDF SMILES Flexibase

68907800

Analogs

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Popular Name: N-(2-furylmethyl)-N-[(5-methyl-2-thienyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-(2-furylmethyl)-N-[(5-methyl-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)	1.31	3.5	-39.93	1	8	-1	115	395.42	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.85	5.45	-11.67	2	8	0	112	396.428	5	↓ MOL2 SDF SMILES Flexibase

52578898

Analogs

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Popular Name: 2,4-dioxo-N-[2-(pyrazin-2-ylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide 2,4-dioxo-N-[2-(pyrazin-2-ylamin…

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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)	-0.74	-3.67	-45.36	3	10	-1	149	326.296	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.20	-1.73	-18.12	4	10	0	146	327.304	5	↓ MOL2 SDF SMILES Flexibase

62620886

Analogs

9830289

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[4-oxo-3-(p-tolylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanyl-acetami N-(5-chloro-2-methoxy-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)	4.58	11.23	-14.59	1	7	0	86	480.977	7	↓ MOL2 SDF SMILES Flexibase

66427007

Analogs

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Popular Name: N-[2-(2-tert-butylphenoxy)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[2-(2-tert-butylphenoxy)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)	2.70	2.48	-41.51	2	8	-1	120	381.412	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.24	4.42	-12.75	3	8	0	117	382.42	6	↓ MOL2 SDF SMILES Flexibase

66442582

Analogs

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Popular Name: 2-hydroxy-5-(2-methylpropyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-7-carboxylic acid 2-hydroxy-5-(2-methylpropyl)-4-o…

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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	1.25	-100.24	1	7	-2	122	261.237	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.99	3.23	-42.48	2	7	-1	119	262.245	3	↓ MOL2 SDF SMILES Flexibase

66442624

Analogs

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Popular Name: 5-(2-methylpropyl)-4-oxo-2-sulfanyl-3,4-dihydropyrido[2,3-d]pyrimidine-7-carboxylic acid 5-(2-methylpropyl)-4-oxo-2-sulfa…

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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	5.54	-95.58	1	6	-2	99	277.305	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.33	5.92	-41.34	2	6	-1	102	278.313	3	↓ MOL2 SDF SMILES Flexibase

69167024

Analogs

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Popular Name: N-(3-fluorophenyl)-3-(4-oxopyrido[2,3-d]pyrimidin-3-yl)propanamide N-(3-fluorophenyl)-3-(4-oxopyrid…

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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	7.26	-17.38	1	6	0	77	312.304	4	↓ MOL2 SDF SMILES Flexibase

55450696

Analogs

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Popular Name: N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[[1-(3-chlorophenyl)cyclopenty…

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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	4.22	-41.5	2	7	-1	111	397.842	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.63	6.18	-11.14	3	7	0	108	398.85	4	↓ MOL2 SDF SMILES Flexibase

55455494

Analogs

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Popular Name: N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[[1-(4-fluorophenyl)cyclohexyl…

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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	3.6	-41.12	2	7	-1	111	395.414	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.65	5.55	-12.9	3	7	0	108	396.422	4	↓ MOL2 SDF SMILES Flexibase

65536232

Analogs

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Popular Name: 3-[(3-chlorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one 3-[(3-chlorophenyl)methyl]pyrido…

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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)	2.40	8.7	-16.45	0	4	0	48	271.707	2	↓ MOL2 SDF SMILES Flexibase

55602532

Analogs

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Popular Name: N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[2-(3,5-dimethylphenoxy)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)	1.87	1.12	-42.37	2	8	-1	120	353.358	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.41	3.07	-13.28	3	8	0	117	354.366	5	↓ MOL2 SDF SMILES Flexibase

55606019

Analogs

52282090
52282091

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Popular Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-N-ethyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide N-[(1S)-1-(benzofuran-2-yl)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)	2.03	3.7	-39.86	1	8	-1	115	377.38	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.57	5.62	-10.57	2	8	0	112	378.388	4	↓ MOL2 SDF SMILES Flexibase

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