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ZINC Item

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65150666

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[8-(3-methoxyphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(2,5-dimethoxyphenyl)-2-[8-(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)	2.33	5.38	-22.26	1	11	0	118	451.439	8	↓ MOL2 SDF SMILES Flexibase

65150670

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)	2.81	8.24	-28.59	1	11	0	126	463.45	9	↓ MOL2 SDF SMILES Flexibase

65150671

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)	2.84	8.26	-22.27	1	11	0	126	463.45	9	↓ MOL2 SDF SMILES Flexibase

65150672

Analogs

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Popular Name: 2-[8-(3-methoxyphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]aceta 2-[8-(3-methoxyphenoxy)-3-oxo-[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)	3.16	7.66	-22.7	1	9	0	100	459.384	7	↓ MOL2 SDF SMILES Flexibase

65150675

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(3-methoxyphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-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)	3.79	8.3	-19.02	1	9	0	100	493.829	7	↓ MOL2 SDF SMILES Flexibase

65150677

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[8-(3-methoxyphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2 N-[4-chloro-3-(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)	3.79	8.08	-18.77	1	9	0	100	493.829	7	↓ MOL2 SDF SMILES Flexibase

65150679

Analogs

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Popular Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[8-(3-methoxyphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2 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)	3.79	8.46	-15.84	1	9	0	100	493.829	7	↓ MOL2 SDF SMILES Flexibase

65150851

Analogs

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Popular Name: N-tert-butyl-2-[8-(3,5-dimethylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-tert-butyl-2-[8-(3,5-dimethylp…

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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)	2.57	7.06	-16.81	1	8	0	91	369.425	5	↓ MOL2 SDF SMILES Flexibase

65150867

Analogs

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Popular Name: 2-[8-(2-chlorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(4-fluorophenyl)acetamide 2-[8-(2-chlorophenoxy)-3-oxo-[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)	3.05	7.78	-19.73	1	8	0	91	413.796	5	↓ MOL2 SDF SMILES Flexibase

65150903

Analogs

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Popular Name: 2-[8-(4-chlorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-cyclohexyl-acetamide 2-[8-(4-chlorophenoxy)-3-oxo-[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)	3.14	7.64	-16.54	1	8	0	91	401.854	5	↓ MOL2 SDF SMILES Flexibase

65150906

Analogs

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Popular Name: 2-[8-(4-chlorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(p-tolylmethyl)acetamide 2-[8-(4-chlorophenoxy)-3-oxo-[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)	3.09	8.64	-15.85	1	8	0	91	423.86	6	↓ MOL2 SDF SMILES Flexibase

65150908

Analogs

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Popular Name: 2-[8-(4-chlorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide 2-[8-(4-chlorophenoxy)-3-oxo-[1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	8.03	-16.43	1	8	0	91	427.823	6	↓ MOL2 SDF SMILES Flexibase

65150909

Analogs

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Popular Name: N-cyclohexyl-2-[8-(4-fluorophenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-cyclohexyl-2-[8-(4-fluoropheno…

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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	7.19	-16.88	1	8	0	91	385.399	5	↓ MOL2 SDF SMILES Flexibase

65150930

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[8-(m-tolylsulfanyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(2,5-dimethoxyphenyl)-2-[8-(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)	3.10	8.83	-20.38	1	9	0	100	451.508	7	↓ MOL2 SDF SMILES Flexibase

65150934

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)	3.61	11.7	-20.16	1	9	0	108	463.519	8	↓ MOL2 SDF SMILES Flexibase

65150948

Analogs

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Popular Name: 2-[8-(m-tolylsulfanyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetam 2-[8-(m-tolylsulfanyl)-3-oxo-[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)	3.93	11.12	-20.62	1	7	0	81	459.453	6	↓ MOL2 SDF SMILES Flexibase

65150955

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(m-tolylsulfanyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-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)	4.56	11.76	-17.26	1	7	0	81	493.898	6	↓ MOL2 SDF SMILES Flexibase

65150957

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[8-(m-tolylsulfanyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2- N-[4-chloro-3-(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)	4.56	11.53	-16.97	1	7	0	81	493.898	6	↓ MOL2 SDF SMILES Flexibase

65150959

Analogs

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Popular Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[8-(m-tolylsulfanyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2- 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)	4.56	11.93	-13.91	1	7	0	81	493.898	6	↓ MOL2 SDF SMILES Flexibase

65150960

Analogs

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Popular Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-8-(m-tolylsulfanyl)-[1,2,4]triazolo[4,3-a]pyraz 2-[2-[4-(2-fluorophenyl)piperazi…

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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)	3.31	12.89	-17.8	0	8	0	76	478.553	5	↓ MOL2 SDF SMILES Flexibase

65150965

Analogs

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Popular Name: N-cyclohexyl-2-[8-(4-fluorophenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-cyclohexyl-2-[8-(4-fluoropheny…

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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)	3.01	9.31	-16.91	1	7	0	81	401.467	5	↓ MOL2 SDF SMILES Flexibase

65150966

Analogs

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Popular Name: N-butyl-2-[8-(4-fluorophenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-butyl-2-[8-(4-fluorophenyl)sul…

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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	8.16	-16.68	1	7	0	81	375.429	7	↓ MOL2 SDF SMILES Flexibase

65150968

Analogs

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Popular Name: 2-[8-(4-fluorophenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(p-tolylmethyl)acetamide 2-[8-(4-fluorophenyl)sulfanyl-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	10.31	-16.19	1	7	0	81	423.473	6	↓ MOL2 SDF SMILES Flexibase

65150981

Analogs

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Popular Name: N-(4-butylphenyl)-2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(4-butylphenyl)-2-[8-[(4-chlor…

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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)	5.24	13.75	-18.3	1	7	0	81	482.009	9	↓ MOL2 SDF SMILES Flexibase

65150982

Analogs

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Popular Name: 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,6-dimethylpheny 2-[8-[(4-chlorophenyl)methylsulf…

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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)	3.24	12.61	-18.23	1	7	0	81	453.955	6	↓ MOL2 SDF SMILES Flexibase

65150983

Analogs

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Popular Name: 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2-ethoxyphenyl)ac 2-[8-[(4-chlorophenyl)methylsulf…

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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	11.12	-17.66	1	8	0	91	469.954	8	↓ MOL2 SDF SMILES Flexibase

65150985

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2 N-(1,3-benzodioxol-5-yl)-2-[8-[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.26	9.42	-23.18	1	9	0	100	469.91	6	↓ MOL2 SDF SMILES Flexibase

65150986

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ac N-(4-acetylphenyl)-2-[8-[(4-chlo…

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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)	3.27	11.25	-20.87	1	8	0	98	467.938	7	↓ MOL2 SDF SMILES Flexibase

65150987

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.68	11.75	-17.87	1	9	0	108	483.937	8	↓ MOL2 SDF SMILES Flexibase

65150989

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)	4.05	12.68	-17.58	1	9	0	108	497.964	9	↓ MOL2 SDF SMILES Flexibase

65150992

Analogs

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Popular Name: 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,5-difluoropheny 2-[8-[(4-chlorophenyl)methylsulf…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.63	10.93	-17.79	1	7	0	81	461.881	6	↓ MOL2 SDF SMILES Flexibase

65150993

Analogs

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Popular Name: 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethy 2-[8-[(4-chlorophenyl)methylsulf…

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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	11.77	-21.05	1	7	0	81	493.898	7	↓ MOL2 SDF SMILES Flexibase

65151008

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ac N-(2,4-dimethylphenyl)-2-[8-(2,4…

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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)	4.29	12.24	-18.21	1	7	0	81	433.537	5	↓ MOL2 SDF SMILES Flexibase

65151009

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Popular Name: N-(2,5-dimethylphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ac N-(2,5-dimethylphenyl)-2-[8-(2,4…

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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)	4.29	12.25	-18.27	1	7	0	81	433.537	5	↓ MOL2 SDF SMILES Flexibase

65151010

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Popular Name: 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(4-methoxyphenyl)aceta 2-[8-(2,4-dimethylphenyl)sulfany…

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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	9.98	-18.63	1	8	0	91	435.509	6	↓ MOL2 SDF SMILES Flexibase

65151011

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]a N-(2,5-dimethoxyphenyl)-2-[8-(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)	3.50	9.4	-20.18	1	9	0	100	465.535	7	↓ MOL2 SDF SMILES Flexibase

65151014

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	11.71	-16.58	1	9	0	108	463.519	7	↓ MOL2 SDF SMILES Flexibase

65151015

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)	4.01	12.27	-19.96	1	9	0	108	477.546	8	↓ MOL2 SDF SMILES Flexibase

65151017

Analogs

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Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-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)	4.23	11.33	-14.62	1	7	0	81	457.918	5	↓ MOL2 SDF SMILES Flexibase

65151018

Analogs

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Popular Name: 2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)ph 2-[8-(2,4-dimethylphenyl)sulfany…

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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)	4.33	11.7	-20.47	1	7	0	81	473.48	6	↓ MOL2 SDF SMILES Flexibase

65151021

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2 N-(3-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)	4.49	12.02	-16.67	1	7	0	81	453.955	5	↓ MOL2 SDF SMILES Flexibase

65151023

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2 N-(2-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)	4.51	11.98	-15.32	1	7	0	81	453.955	5	↓ MOL2 SDF SMILES Flexibase

65151025

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[8-(2,4-dimethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin- 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)	4.12	10.54	-21.27	1	8	0	91	469.954	6	↓ MOL2 SDF SMILES Flexibase

65151028

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[8-(2-ethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(2,5-dimethoxyphenyl)-2-[8-(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)	3.54	9.35	-20.37	1	9	0	100	465.535	8	↓ MOL2 SDF SMILES Flexibase

65151030

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[8-(2-ethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(3,4-dimethoxyphenyl)-2-[8-(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)	3.15	9.84	-20.7	1	9	0	100	465.535	8	↓ MOL2 SDF SMILES Flexibase

65151032

Analogs

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Popular Name: 2-[8-(2-ethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-methylsulfanylphenyl)ace 2-[8-(2-ethylphenyl)sulfanyl-3-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)	3.91	11.66	-20.98	1	7	0	81	451.577	7	↓ MOL2 SDF SMILES Flexibase

65151035

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	11.67	-16.75	1	9	0	108	463.519	8	↓ MOL2 SDF SMILES Flexibase

65151037

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)	4.05	12.23	-21.76	1	9	0	108	477.546	9	↓ MOL2 SDF SMILES Flexibase

65151040

Analogs

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Popular Name: N-(2-bromophenyl)-2-[8-(2-ethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(2-bromophenyl)-2-[8-(2-ethylp…

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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)	4.26	11.39	-15.4	1	7	0	81	484.379	6	↓ MOL2 SDF SMILES Flexibase

65151041

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[8-(2-ethylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]a N-(3-chloro-4-fluoro-phenyl)-2-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	11.21	-20.18	1	7	0	81	457.918	6	↓ MOL2 SDF SMILES Flexibase

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