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ZINC Item

Suppliers, Protomers, & Similar Substances

49410625

Analogs

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Popular Name: 2-[7-methyl-5-(2-methylanilino)-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(p-tolyl)acetamide 2-[7-methyl-5-(2-methylanilino)-…

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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)	3.76	13.67	-17.25	2	8	0	93	402.458	5	↓ MOL2 SDF SMILES Flexibase

49410627

Analogs

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Popular Name: N-(3-ethylphenyl)-2-[7-methyl-5-(2-methylanilino)-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetami N-(3-ethylphenyl)-2-[7-methyl-5-…

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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)	4.20	14.42	-16.88	2	8	0	93	416.485	6	↓ MOL2 SDF SMILES Flexibase

49410631

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[7-methyl-5-(2-methylanilino)-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetam N-(4-fluorophenyl)-2-[7-methyl-5…

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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)	3.48	13.07	-17.37	2	8	0	93	406.421	5	↓ MOL2 SDF SMILES Flexibase

49410633

Analogs

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Popular Name: N-(3,5-difluorophenyl)-2-[7-methyl-5-(2-methylanilino)-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]ac N-(3,5-difluorophenyl)-2-[7-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)	3.57	13.13	-17.05	2	8	0	93	424.411	5	↓ MOL2 SDF SMILES Flexibase

49410635

Analogs

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-2-[7-methyl-5-(2-methylanilino)-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2 N-(2-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)	4.08	13.7	-13.77	2	8	0	93	440.866	5	↓ MOL2 SDF SMILES Flexibase

49410639

Analogs

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Popular Name: 2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(p-tolyl)acetamide 2-[5-(4-fluoroanilino)-7-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)	3.52	12.79	-16.58	2	8	0	93	406.421	5	↓ MOL2 SDF SMILES Flexibase

49410641

Analogs

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Popular Name: N-(2-ethylphenyl)-2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetami N-(2-ethylphenyl)-2-[5-(4-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)	3.94	13.8	-16.05	2	8	0	93	420.448	6	↓ MOL2 SDF SMILES Flexibase

49410643

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]ac N-(2,5-dimethylphenyl)-2-[5-(4-f…

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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)	3.90	13.63	-16.5	2	8	0	93	420.448	5	↓ MOL2 SDF SMILES Flexibase

49410645

Analogs

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Popular Name: 2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(2-methoxy-5-methyl-ph 2-[5-(4-fluoroanilino)-7-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)	3.51	12.21	-15.96	2	9	0	103	436.447	6	↓ MOL2 SDF SMILES Flexibase

49410647

Analogs

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2 N-(2-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)	3.85	12.94	-13.11	2	8	0	93	444.829	5	↓ MOL2 SDF SMILES Flexibase

49410649

Analogs

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Popular Name: 2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(4-fluoro-2-methyl-phe 2-[5-(4-fluoroanilino)-7-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)	3.62	13.09	-16.7	2	8	0	93	424.411	5	↓ MOL2 SDF SMILES Flexibase

49410651

Analogs

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Popular Name: 2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(5-fluoro-2-methyl-phe 2-[5-(4-fluoroanilino)-7-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)	3.62	13.09	-19.21	2	8	0	93	424.411	5	↓ MOL2 SDF SMILES Flexibase

49410653

Analogs

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Popular Name: 2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(3-fluoro-4-methoxy-ph 2-[5-(4-fluoroanilino)-7-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)	3.23	11.49	-21.57	2	9	0	103	440.41	6	↓ MOL2 SDF SMILES Flexibase

49410659

Analogs

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Popular Name: 2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-methyl-N-(m-tolyl) 2-[5-(3,5-dimethylanilino)-7-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)	4.41	15.75	-17.98	1	8	0	85	430.512	5	↓ MOL2 SDF SMILES Flexibase

49410661

Analogs

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Popular Name: 2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-methyl-N-phenyl-ac 2-[5-(3,5-dimethylanilino)-7-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.98	15.04	-17.88	1	8	0	85	416.485	5	↓ MOL2 SDF SMILES Flexibase

49410663

Analogs

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Popular Name: 2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-methyl-N-(m- 2-[5-(4-fluoro-3-methyl-anilino)…

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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)	4.12	15.12	-17.19	1	8	0	85	434.475	5	↓ MOL2 SDF SMILES Flexibase

49410665

Analogs

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Popular Name: 2-[5-(3-fluoro-4-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-methyl-N-(m- 2-[5-(3-fluoro-4-methyl-anilino)…

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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)	4.12	15.12	-17.85	1	8	0	85	434.475	5	↓ MOL2 SDF SMILES Flexibase

49410667

Analogs

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Popular Name: N-ethyl-2-[5-(3-fluoro-4-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-phen N-ethyl-2-[5-(3-fluoro-4-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)	4.07	15.25	-16.95	1	8	0	85	434.475	6	↓ MOL2 SDF SMILES Flexibase

49410675

Analogs

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Popular Name: N-(2,5-difluorophenyl)-2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-y N-(2,5-difluorophenyl)-2-[5-(3,5…

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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)	3.99	13.57	-16.24	2	8	0	93	438.438	5	↓ MOL2 SDF SMILES Flexibase

49410679

Analogs

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Popular Name: 2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(o-tolyl)acetamide 2-[5-(3,5-dimethylanilino)-7-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)	4.14	14.29	-17.42	2	8	0	93	416.485	5	↓ MOL2 SDF SMILES Flexibase

49410681

Analogs

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Popular Name: 2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(4-methoxyphenyl)a 2-[5-(3,5-dimethylanilino)-7-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	12.68	-18.03	2	9	0	103	432.484	6	↓ MOL2 SDF SMILES Flexibase

49410684

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]ac N-(3-chlorophenyl)-2-[5-(3,5-dim…

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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)	4.39	13.91	-18.53	2	8	0	93	436.903	5	↓ MOL2 SDF SMILES Flexibase

49410686

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]ac N-(4-chlorophenyl)-2-[5-(3,5-dim…

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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)	4.42	13.91	-16.85	2	8	0	93	436.903	5	↓ MOL2 SDF SMILES Flexibase

49410690

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-y N-(2,4-difluorophenyl)-2-[5-(3,5…

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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)	3.99	13.57	-13.91	2	8	0	93	438.438	5	↓ MOL2 SDF SMILES Flexibase

49410692

Analogs

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Popular Name: 2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(2-fluorophenyl)ac 2-[5-(3,5-dimethylanilino)-7-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.85	13.49	-15.2	2	8	0	93	420.448	5	↓ MOL2 SDF SMILES Flexibase

49410696

Analogs

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Popular Name: 2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(3-fluoro-4-methyl 2-[5-(3,5-dimethylanilino)-7-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)	4.28	14.09	-16.12	2	8	0	93	434.475	5	↓ MOL2 SDF SMILES Flexibase

49410700

Analogs

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Popular Name: N-(3,5-difluorophenyl)-2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-y N-(3,5-difluorophenyl)-2-[5-(3,5…

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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)	3.99	13.52	-17.04	2	8	0	93	438.438	5	↓ MOL2 SDF SMILES Flexibase

49410702

Analogs

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Popular Name: 2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-phenyl-acetamide 2-[5-(3,5-dimethylanilino)-7-met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	13.39	-17.35	2	8	0	93	402.458	5	↓ MOL2 SDF SMILES Flexibase

49410703

Analogs

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Popular Name: 2-[5-(3,4-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(o-tolyl)acetamide 2-[5-(3,4-dimethylanilino)-7-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)	4.14	14.17	-17.43	2	8	0	93	416.485	5	↓ MOL2 SDF SMILES Flexibase

49410705

Analogs

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Popular Name: N-(2,5-difluorophenyl)-2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimid N-(2,5-difluorophenyl)-2-[5-(4-f…

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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)	3.71	12.95	-15.56	2	8	0	93	442.401	5	↓ MOL2 SDF SMILES Flexibase

49410707

Analogs

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Popular Name: 2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(p-tolyl)ace 2-[5-(4-fluoro-3-methyl-anilino)…

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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)	3.90	13.44	-16.52	2	8	0	93	420.448	5	↓ MOL2 SDF SMILES Flexibase

49410709

Analogs

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Popular Name: 2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(o-tolyl)ace 2-[5-(4-fluoro-3-methyl-anilino)…

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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)	3.85	13.67	-16.71	2	8	0	93	420.448	5	↓ MOL2 SDF SMILES Flexibase

49410711

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Popular Name: 2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(m-tolyl)ace 2-[5-(4-fluoro-3-methyl-anilino)…

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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	13.43	-16.38	2	8	0	93	420.448	5	↓ MOL2 SDF SMILES Flexibase

49410713

Analogs

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Popular Name: 2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(4-methoxyph 2-[5-(4-fluoro-3-methyl-anilino)…

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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)	3.51	12.05	-17.33	2	9	0	103	436.447	6	↓ MOL2 SDF SMILES Flexibase

49410715

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Popular Name: N-(4-chlorophenyl)-2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2 N-(4-chlorophenyl)-2-[5-(4-fluor…

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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)	4.13	13.28	-16.18	2	8	0	93	440.866	5	↓ MOL2 SDF SMILES Flexibase

49410719

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimid N-(2,4-difluorophenyl)-2-[5-(4-f…

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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)	3.71	12.95	-13.35	2	8	0	93	442.401	5	↓ MOL2 SDF SMILES Flexibase

49410721

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimid N-(2,3-dimethylphenyl)-2-[5-(4-f…

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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)	4.25	14.16	-16.53	2	8	0	93	434.475	5	↓ MOL2 SDF SMILES Flexibase

49410723

Analogs

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Popular Name: N-(2-ethylphenyl)-2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2- N-(2-ethylphenyl)-2-[5-(4-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)	4.32	14.44	-16.02	2	8	0	93	434.475	6	↓ MOL2 SDF SMILES Flexibase

49410725

Analogs

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Popular Name: 2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(2-fluorophe 2-[5-(4-fluoro-3-methyl-anilino)…

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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)	3.57	12.87	-14.47	2	8	0	93	424.411	5	↓ MOL2 SDF SMILES Flexibase

49410727

Analogs

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Popular Name: N-(3,4-difluorophenyl)-2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimid N-(3,4-difluorophenyl)-2-[5-(4-f…

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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)	3.71	12.88	-19.97	2	8	0	93	442.401	5	↓ MOL2 SDF SMILES Flexibase

49410729

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Popular Name: 2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(3-fluorophe 2-[5-(4-fluoro-3-methyl-anilino)…

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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)	3.59	12.83	-19.03	2	8	0	93	424.411	5	↓ MOL2 SDF SMILES Flexibase

49410731

Analogs

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Popular Name: N-(3,5-difluorophenyl)-2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimid N-(3,5-difluorophenyl)-2-[5-(4-f…

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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)	3.71	12.9	-16.47	2	8	0	93	442.401	5	↓ MOL2 SDF SMILES Flexibase

49410733

Analogs

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Popular Name: 2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(5-fluoro-2- 2-[5-(4-fluoro-3-methyl-anilino)…

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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)	3.99	13.74	-19.21	2	8	0	93	438.438	5	↓ MOL2 SDF SMILES Flexibase

49410735

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Popular Name: N-(4-ethylphenyl)-2-[5-(4-fluoro-3-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2- N-(4-ethylphenyl)-2-[5-(4-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)	4.37	14.2	-16.4	2	8	0	93	434.475	6	↓ MOL2 SDF SMILES Flexibase

49410737

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Popular Name: N-(2,5-difluorophenyl)-2-[5-(3-fluoro-4-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimid N-(2,5-difluorophenyl)-2-[5-(3-f…

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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)	3.71	12.95	-16.64	2	8	0	93	442.401	5	↓ MOL2 SDF SMILES Flexibase

49410739

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Popular Name: 2-[5-(3-fluoro-4-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(4-methoxyph 2-[5-(3-fluoro-4-methyl-anilino)…

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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)	3.51	12.05	-18.37	2	9	0	103	436.447	6	↓ MOL2 SDF SMILES Flexibase

49410743

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-[5-(3-fluoro-4-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimid N-(2,4-difluorophenyl)-2-[5-(3-f…

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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)	3.71	12.95	-14.3	2	8	0	93	442.401	5	↓ MOL2 SDF SMILES Flexibase

49410745

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[5-(3-fluoro-4-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimid N-(2,3-dimethylphenyl)-2-[5-(3-f…

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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)	4.25	14.16	-17.07	2	8	0	93	434.475	5	↓ MOL2 SDF SMILES Flexibase

49410747

Analogs

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Popular Name: 2-[5-(3-fluoro-4-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(2-fluorophe 2-[5-(3-fluoro-4-methyl-anilino)…

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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)	3.57	12.87	-15.46	2	8	0	93	424.411	5	↓ MOL2 SDF SMILES Flexibase

49410751

Analogs

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Popular Name: 2-[5-(3-fluoro-4-methyl-anilino)-7-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(3-fluoro-4- 2-[5-(3-fluoro-4-methyl-anilino)…

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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)	3.99	13.47	-20.39	2	8	0	93	438.438	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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