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ZINC Item

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21540357

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(2-furylmethyl)propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	1.32	8.79	-24.89	1	8	0	94	381.367	6	↓ MOL2 SDF SMILES Flexibase

21540359

Analogs

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Popular Name: N-(3-fluorophenyl)-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamide N-(3-fluorophenyl)-3-[7-(3-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)	2.50	10.62	-28.5	1	7	0	81	395.369	5	↓ MOL2 SDF SMILES Flexibase

21540362

Analogs

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Popular Name: N-(4-fluorophenyl)-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamide N-(4-fluorophenyl)-3-[7-(3-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)	2.53	10.61	-24.02	1	7	0	81	395.369	5	↓ MOL2 SDF SMILES Flexibase

21540364

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-phenyl-propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	2.36	10.55	-26.19	1	7	0	81	377.379	5	↓ MOL2 SDF SMILES Flexibase

21540365

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamide N-(3,4-dimethylphenyl)-3-[7-(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)	3.19	11.89	-25.53	1	7	0	81	405.433	5	↓ MOL2 SDF SMILES Flexibase

21540368

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamide N-(3,5-dimethylphenyl)-3-[7-(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)	3.19	11.88	-25.3	1	7	0	81	405.433	5	↓ MOL2 SDF SMILES Flexibase

21540370

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamid N-[(4-fluorophenyl)methyl]-3-[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)	2.23	10.72	-24.97	1	7	0	81	409.396	6	↓ MOL2 SDF SMILES Flexibase

21540372

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(m-tolyl)propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	2.79	11.21	-25.61	1	7	0	81	391.406	5	↓ MOL2 SDF SMILES Flexibase

21540375

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(p-tolyl)propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	2.81	11.21	-25.72	1	7	0	81	391.406	5	↓ MOL2 SDF SMILES Flexibase

21540378

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-phenethyl-propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	2.47	11.44	-26.01	1	7	0	81	405.433	7	↓ MOL2 SDF SMILES Flexibase

21540380

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanami N-[2-(1-cyclohexenyl)ethyl]-3-[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)	3.04	11.66	-24.54	1	7	0	81	409.465	7	↓ MOL2 SDF SMILES Flexibase

21540382

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamid N-[(2-chlorophenyl)methyl]-3-[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)	2.70	11.08	-23.32	1	7	0	81	425.851	6	↓ MOL2 SDF SMILES Flexibase

21540384

Analogs

15736288

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Popular Name: 7-(3-fluorophenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[3,4-c]pyrazin-8-one 7-(3-fluorophenyl)-3-[3-oxo-3-(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)	2.50	11.85	-23.58	0	8	0	76	446.486	5	↓ MOL2 SDF SMILES Flexibase

21540386

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-[(2-methoxyphenyl)methyl]propanami 3-[7-(3-fluorophenyl)-8-oxo-[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)	2.07	10.04	-24.54	1	8	0	91	421.432	7	↓ MOL2 SDF SMILES Flexibase

21540389

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamid N-[(4-chlorophenyl)methyl]-3-[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)	2.74	11.17	-24.32	1	7	0	81	425.851	6	↓ MOL2 SDF SMILES Flexibase

21540392

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(4-methoxyphenyl)propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	2.42	9.86	-27.54	1	8	0	91	407.405	6	↓ MOL2 SDF SMILES Flexibase

21540393

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanami N-[2-(4-chlorophenyl)ethyl]-3-[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)	3.15	11.96	-26.8	1	7	0	81	439.878	7	↓ MOL2 SDF SMILES Flexibase

21540395

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(3-methoxyphenyl)propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	2.40	9.86	-28.88	1	8	0	91	407.405	6	↓ MOL2 SDF SMILES Flexibase

21540397

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-isopentyl-propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	2.32	9.71	-23.92	1	7	0	81	371.416	7	↓ MOL2 SDF SMILES Flexibase

21540400

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(2-thienylmethyl)propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	1.96	9.78	-23.87	1	7	0	81	397.435	6	↓ MOL2 SDF SMILES Flexibase

21540402

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(p-tolylmethyl)propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	2.51	11.32	-23.73	1	7	0	81	405.433	6	↓ MOL2 SDF SMILES Flexibase

21540404

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(3-isopropoxypropyl)propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	1.66	9.22	-24.69	1	8	0	91	401.442	9	↓ MOL2 SDF SMILES Flexibase

21540406

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamide N-(3,5-dimethoxyphenyl)-3-[7-(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)	2.40	9.19	-29.39	1	9	0	100	437.431	7	↓ MOL2 SDF SMILES Flexibase

21540408

Analogs

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Popular Name: 7-(3-fluorophenyl)-3-[3-(4-methyl-1-piperidyl)-3-oxo-propyl]-[1,2,4]triazolo[3,4-c]pyrazin-8-one 7-(3-fluorophenyl)-3-[3-(4-methy…

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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	11.46	-21.99	0	7	0	73	383.427	4	↓ MOL2 SDF SMILES Flexibase

21540410

Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(3-phenylpropyl)propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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)	2.99	12.22	-25.08	1	7	0	81	419.46	8	↓ MOL2 SDF SMILES Flexibase

21540412

Analogs

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Popular Name: N-(4-chlorophenyl)-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamide N-(4-chlorophenyl)-3-[7-(3,4-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)	3.73	12.33	-24.04	1	7	0	81	421.888	5	↓ MOL2 SDF SMILES Flexibase

21540414

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]prop N-(3-chloro-4-fluoro-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.82	12.29	-24.47	1	7	0	81	439.878	5	↓ MOL2 SDF SMILES Flexibase

21540416

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(2-furylmethyl)propanamide 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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	10.05	-22.93	1	8	0	94	391.431	6	↓ MOL2 SDF SMILES Flexibase

21540419

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(3-fluorophenyl)propanamide 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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	11.87	-26.64	1	7	0	81	405.433	5	↓ MOL2 SDF SMILES Flexibase

21540422

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(4-fluorophenyl)propanamide 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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)	3.21	11.86	-24.68	1	7	0	81	405.433	5	↓ MOL2 SDF SMILES Flexibase

21540424

Analogs

15736329

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-phenyl-propanamide 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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	11.8	-23.66	1	7	0	81	387.443	5	↓ MOL2 SDF SMILES Flexibase

21540426

Analogs

15864624

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Popular Name: N-(3,4-dimethoxyphenyl)-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanami N-(3,4-dimethoxyphenyl)-3-[7-(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)	2.70	11.07	-26.9	1	9	0	100	447.495	7	↓ MOL2 SDF SMILES Flexibase

21540428

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]pro N-(3-chloro-4-methoxy-phenyl)-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	11.67	-27.79	1	8	0	91	451.914	6	↓ MOL2 SDF SMILES Flexibase

21540431

Analogs

15736316

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Popular Name: N-(3,4-dimethylphenyl)-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamid N-(3,4-dimethylphenyl)-3-[7-(3,4…

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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)	3.87	13.09	-23.62	1	7	0	81	415.497	5	↓ MOL2 SDF SMILES Flexibase

21540433

Analogs

15736316
15736318
15736327

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Popular Name: N-(3,5-dimethylphenyl)-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamid N-(3,5-dimethylphenyl)-3-[7-(3,4…

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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)	3.87	13.14	-23.42	1	7	0	81	415.497	5	↓ MOL2 SDF SMILES Flexibase

21540435

Analogs

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Popular Name: N-(3-chlorophenyl)-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamide N-(3-chlorophenyl)-3-[7-(3,4-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)	3.70	12.32	-25.47	1	7	0	81	421.888	5	↓ MOL2 SDF SMILES Flexibase

21540437

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-[(4-fluorophenyl)methyl]propan 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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	11.98	-22.95	1	7	0	81	419.46	6	↓ MOL2 SDF SMILES Flexibase

21540439

Analogs

15736316

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(m-tolyl)propanamide 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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)	3.47	12.4	-23.7	1	7	0	81	401.47	5	↓ MOL2 SDF SMILES Flexibase

21540441

Analogs

15736329

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(p-tolyl)propanamide 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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	12.39	-23.84	1	7	0	81	401.47	5	↓ MOL2 SDF SMILES Flexibase

21540443

Analogs

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Popular Name: N-benzyl-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamide N-benzyl-3-[7-(3,4-dimethylpheny…

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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)	2.75	11.91	-21.85	1	7	0	81	401.47	6	↓ MOL2 SDF SMILES Flexibase

21540446

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-phenethyl-propanamide 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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	12.7	-24.11	1	7	0	81	415.497	7	↓ MOL2 SDF SMILES Flexibase

21540448

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propa N-[2-(1-cyclohexenyl)ethyl]-3-[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)	3.73	12.93	-22.57	1	7	0	81	419.529	7	↓ MOL2 SDF SMILES Flexibase

21540451

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propan N-[(2-chlorophenyl)methyl]-3-[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	12.36	-22.62	1	7	0	81	435.915	6	↓ MOL2 SDF SMILES Flexibase

21540453

Analogs

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Popular Name: N-(4-bromophenyl)-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamide N-(4-bromophenyl)-3-[7-(3,4-dime…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	12.43	-23.96	1	7	0	81	466.339	5	↓ MOL2 SDF SMILES Flexibase

21540455

Analogs

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Popular Name: 7-(3,4-dimethylphenyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[3,4-c]pyrazin-8-on 7-(3,4-dimethylphenyl)-3-[3-oxo-…

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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	13.11	-21.57	0	8	0	76	456.55	5	↓ MOL2 SDF SMILES Flexibase

21540457

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]pr N-(1,3-benzodioxol-5-ylmethyl)-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)	2.64	10.57	-25.47	1	9	0	100	445.479	6	↓ MOL2 SDF SMILES Flexibase

21540459

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propan N-[(4-chlorophenyl)methyl]-3-[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)	3.43	12.43	-22.34	1	7	0	81	435.915	6	↓ MOL2 SDF SMILES Flexibase

21540461

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-[(4-methoxyphenyl)methyl]propa 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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	11.23	-23.14	1	8	0	91	431.496	7	↓ MOL2 SDF SMILES Flexibase

21540463

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(4-methoxyphenyl)propanamide 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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	11.12	-25.63	1	8	0	91	417.469	6	↓ MOL2 SDF SMILES Flexibase

21540465

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propa N-[2-(4-chlorophenyl)ethyl]-3-[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)	3.83	13.22	-24.92	1	7	0	81	449.942	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 92831 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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    window.zinc.embed('zinc-link', {
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