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67226511

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	10.63	-20.4	1	8	0	91	457.412	6	↓ MOL2 SDF SMILES Flexibase

67226522

Analogs

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

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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)	2.83	10.25	-15.43	1	8	0	91	423.86	5	↓ MOL2 SDF SMILES Flexibase

67226523

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2 N-(3-chloro-4-methyl-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)	3.25	10.72	-16.31	1	8	0	91	437.887	5	↓ MOL2 SDF SMILES Flexibase

67226524

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.04	10.87	-14.83	1	8	0	91	457.412	6	↓ MOL2 SDF SMILES Flexibase

67226525

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	11.2	-19.67	1	10	0	117	461.478	8	↓ MOL2 SDF SMILES Flexibase

67226537

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	8.31	-20.11	1	10	0	109	449.467	7	↓ MOL2 SDF SMILES Flexibase

67226543

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]p N-[2-chloro-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)	3.70	11.24	-16.74	1	8	0	91	491.857	6	↓ MOL2 SDF SMILES Flexibase

67226544

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin- N-(3-chloro-4-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)	2.86	9.47	-21.27	1	9	0	100	453.886	6	↓ MOL2 SDF SMILES Flexibase

67226546

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2- N-(4-bromo-2-fluoro-phenyl)-2-[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)	3.10	10.35	-14.51	1	8	0	91	486.301	5	↓ MOL2 SDF SMILES Flexibase

67226548

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	11.54	-16.54	1	10	0	117	461.478	8	↓ MOL2 SDF SMILES Flexibase

67226550

Analogs

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Popular Name: 2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(2,4,6-trimethylphenyl 2-[7-(4-methoxyphenyl)-5-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.46	11.9	-16.88	1	8	0	91	431.496	5	↓ MOL2 SDF SMILES Flexibase

67226552

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]ac N-(2,4-difluorophenyl)-2-[7-(4-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)	2.45	9.79	-14.76	1	8	0	91	425.395	5	↓ MOL2 SDF SMILES Flexibase

67226556

Analogs

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Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2 N-(4-chloro-2-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)	2.97	10.24	-14.55	1	8	0	91	441.85	5	↓ MOL2 SDF SMILES Flexibase

67226558

Analogs

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

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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)	3.00	10.24	-17.3	1	8	0	91	468.311	5	↓ MOL2 SDF SMILES Flexibase

67226560

Analogs

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Popular Name: N-(2-ethyl-6-methyl-phenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2- N-(2-ethyl-6-methyl-phenyl)-2-[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)	2.53	12.1	-17	1	8	0	91	431.496	6	↓ MOL2 SDF SMILES Flexibase

67226563

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.84	8.82	-20.34	1	10	0	109	449.467	7	↓ MOL2 SDF SMILES Flexibase

67226570

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	10.24	-18.95	1	8	0	91	468.311	5	↓ MOL2 SDF SMILES Flexibase

67226572

Analogs

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Popular Name: N-(2,5-difluorophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]ac N-(2,5-difluorophenyl)-2-[7-(4-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)	2.45	9.79	-16.95	1	8	0	91	425.395	5	↓ MOL2 SDF SMILES Flexibase

67226574

Analogs

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

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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)	2.07	10.01	-26.85	1	9	0	108	431.452	6	↓ MOL2 SDF SMILES Flexibase

67226595

Analogs

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

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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	9.69	-20.33	1	8	0	91	407.405	5	↓ MOL2 SDF SMILES Flexibase

67226615

Analogs

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin- N-(2-methoxy-5-methyl-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)	2.63	9.72	-17.22	1	9	0	100	433.468	6	↓ MOL2 SDF SMILES Flexibase

67226617

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	8.76	-21.58	1	11	0	118	479.493	8	↓ MOL2 SDF SMILES Flexibase

67226619

Analogs

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

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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)	1.93	10.01	-22.48	1	9	0	114	414.425	5	↓ MOL2 SDF SMILES Flexibase

67226623

Analogs

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Popular Name: N-(2-chloro-6-methyl-phenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2 N-(2-chloro-6-methyl-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)	3.23	11.3	-17.03	1	8	0	91	437.887	5	↓ MOL2 SDF SMILES Flexibase

67226625

Analogs

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

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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	12.61	-17.37	1	8	0	91	445.523	8	↓ MOL2 SDF SMILES Flexibase

67226627

Analogs

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Popular Name: N-(3-acetamidophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]ace N-(3-acetamidophenyl)-2-[7-(4-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)	1.39	8.53	-22.75	2	10	0	120	446.467	6	↓ MOL2 SDF SMILES Flexibase

67226629

Analogs

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Popular Name: N-(4-acetamidophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]ace N-(4-acetamidophenyl)-2-[7-(4-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)	1.42	8.52	-26.24	2	10	0	120	446.467	6	↓ MOL2 SDF SMILES Flexibase

67226631

Analogs

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Popular Name: N-(2-chloro-5-fluoro-phenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2 N-(2-chloro-5-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)	2.97	10.32	-16.6	1	8	0	91	441.85	5	↓ MOL2 SDF SMILES Flexibase

67226633

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	10.62	-17.93	1	8	0	91	457.412	6	↓ MOL2 SDF SMILES Flexibase

67226634

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2- N-(2-bromo-4-methyl-phenyl)-2-[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)	3.38	11.03	-14.89	1	8	0	91	482.338	5	↓ MOL2 SDF SMILES Flexibase

67226637

Analogs

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Popular Name: N-(4-bromo-3-methyl-phenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2- N-(4-bromo-3-methyl-phenyl)-2-[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)	3.38	10.8	-17.24	1	8	0	91	482.338	5	↓ MOL2 SDF SMILES Flexibase

67226640

Analogs

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Popular Name: N-(2-isopropylphenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]ace N-(2-isopropylphenyl)-2-[7-(4-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)	3.19	11.72	-17.02	1	8	0	91	431.496	6	↓ MOL2 SDF SMILES Flexibase

67226642

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]pyrimidin- 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)	2.86	9.55	-17.82	1	9	0	100	453.886	6	↓ MOL2 SDF SMILES Flexibase

67226652

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acetami N-(3-chloro-4-methyl-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)	3.19	11.41	-15.46	1	7	0	81	407.861	4	↓ MOL2 SDF SMILES Flexibase

67226656

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2- N-[2-chloro-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)	3.64	11.93	-15.91	1	7	0	81	461.831	5	↓ MOL2 SDF SMILES Flexibase

67226658

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	10.38	-17.14	1	7	0	81	377.379	4	↓ MOL2 SDF SMILES Flexibase

67226660

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acetami N-(5-chloro-2-methyl-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)	3.19	11.72	-18.27	1	7	0	81	407.861	4	↓ MOL2 SDF SMILES Flexibase

67226662

Analogs

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Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acetami N-(4-chloro-2-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)	2.91	10.94	-13.76	1	7	0	81	411.824	4	↓ MOL2 SDF SMILES Flexibase

67226664

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.95	10.94	-16.5	1	7	0	81	438.285	4	↓ MOL2 SDF SMILES Flexibase

67226665

Analogs

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

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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)	2.14	10.31	-16.82	1	7	0	81	359.389	4	↓ MOL2 SDF SMILES Flexibase

67226667

Analogs

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Popular Name: N-(2-ethyl-6-methyl-phenyl)-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acetamid N-(2-ethyl-6-methyl-phenyl)-2-(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)	2.47	12.8	-16.22	1	7	0	81	401.47	5	↓ MOL2 SDF SMILES Flexibase

67226670

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.82	10.83	-16.49	1	7	0	81	393.834	4	↓ MOL2 SDF SMILES Flexibase

67226672

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	10.94	-18.18	1	7	0	81	438.285	4	↓ MOL2 SDF SMILES Flexibase

67226674

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	10.71	-26.06	1	8	0	98	401.426	5	↓ MOL2 SDF SMILES Flexibase

67235186

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acetamide N-(2,3-dimethylphenyl)-2-(5-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)	2.94	11.72	-16.84	1	7	0	81	387.443	4	↓ MOL2 SDF SMILES Flexibase

67235190

Analogs

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

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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)	2.81	12.65	-17.4	0	7	0	73	387.443	4	↓ MOL2 SDF SMILES Flexibase

67239714

Analogs

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Popular Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[3,4-f]p N-[4-chloro-2-(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)	3.70	11.39	-13.4	1	8	0	91	491.857	6	↓ MOL2 SDF SMILES Flexibase

49407114

Analogs

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

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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)	2.54	11.2	-17.01	1	7	0	81	373.416	4	↓ MOL2 SDF SMILES Flexibase

49407117

Analogs

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

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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)	2.59	10.98	-16.88	1	7	0	81	373.416	4	↓ MOL2 SDF SMILES Flexibase

49407120

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl)acetamide N-(2,4-dimethylphenyl)-2-(5-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)	2.97	11.87	-17.05	1	7	0	81	387.443	4	↓ MOL2 SDF SMILES Flexibase

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