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ZINC Item

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32070489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(o-tolylmethyl)-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazole-2,5-dione 3-(o-tolylmethyl)-6-phenyl-7H-im…

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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	9.12	-19.54	0	6	0	60	320.352	3	↓ MOL2 SDF SMILES Flexibase

32070562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(3-methoxyphenyl)-3-prop-2-ynyl-7H-imidazo[5,1-e][1,2,4]triazole-2,5-dione 6-(3-methoxyphenyl)-3-prop-2-yny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.70	5.12	-23.55	0	7	0	69	284.275	3	↓ MOL2 SDF SMILES Flexibase

32070945

Analogs

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Popular Name: 3-allyl-6-(4-methoxyphenyl)-7H-imidazo[5,1-e][1,2,4]triazole-2,5-dione 3-allyl-6-(4-methoxyphenyl)-7H-i…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.21	5.14	-19.51	0	7	0	69	286.291	4	↓ MOL2 SDF SMILES Flexibase

32071458

Analogs

32093934

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-oxo-2-pyrrolidin-1-yl-ethyl)-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazole-2,5-dione 3-(2-oxo-2-pyrrolidin-1-yl-ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.26	6.28	-25.67	0	8	0	80	327.344	3	↓ MOL2 SDF SMILES Flexibase

32071558

Analogs

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Popular Name: 2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetonitrile 2-(2,5-dioxo-6-phenyl-7H-imidazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.29	5.03	-21.08	0	7	0	84	255.237	2	↓ MOL2 SDF SMILES Flexibase

49543882

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	7.47	-25.03	1	8	0	89	415.812	5	↓ MOL2 SDF SMILES Flexibase

49543997

Analogs

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Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(5-methyl-2-furyl)methyl]ac 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.65	5.9	-25.91	1	9	0	102	385.355	5	↓ MOL2 SDF SMILES Flexibase

49544090

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(2-fluorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.80	7.43	-25.92	1	8	0	89	415.812	5	↓ MOL2 SDF SMILES Flexibase

49544225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl N-[(2,4-difluorophenyl)methyl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	6.26	-25.63	1	9	0	98	429.383	6	↓ MOL2 SDF SMILES Flexibase

49544245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(4-fluorophenyl)methyl]-2-[6-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.23	6.24	-25.05	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49544506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(3-methoxyphenyl)methyl]ace 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.21	6.25	-26.53	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49544565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(3-fluorophenyl)methyl]-2-[6-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.21	6.24	-25.4	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49544678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(2-chlorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	7.82	-24.99	1	8	0	89	432.267	5	↓ MOL2 SDF SMILES Flexibase

49544937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]acet N-[(4-chlorophenyl)methyl]-2-[6-…

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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)	1.85	7.48	-24.82	1	8	0	89	415.812	5	↓ MOL2 SDF SMILES Flexibase

49544951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-fluorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	7.48	-24.56	1	8	0	89	415.812	5	↓ MOL2 SDF SMILES Flexibase

49545003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-isopropoxyphenyl)methyl] 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	7.8	-25.86	1	9	0	98	439.447	7	↓ MOL2 SDF SMILES Flexibase

49545559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(2-methoxyphenyl)methyl]ace 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.18	6.29	-26.69	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49545700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(4-chlorophenyl)methyl]-2-[6-…

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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)	1.74	6.69	-24.56	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49545802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazo N-[(2-chloro-4-fluoro-phenyl)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)	1.84	6.65	-24.92	1	9	0	98	445.838	6	↓ MOL2 SDF SMILES Flexibase

49545893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[[(2S)-tetrahydrofuran-2-yl] 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.15	4.24	-25.85	1	9	0	98	375.36	5	↓ MOL2 SDF SMILES Flexibase

49545895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[[(2R)-tetrahydrofuran-2-yl] 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.15	4.28	-25.93	1	9	0	98	375.36	5	↓ MOL2 SDF SMILES Flexibase

49546001

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(2-methoxyphenyl)methyl]ace 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	6.75	-26.06	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49546015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(2-chlorophenyl)methyl]-2-[6-…

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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)	1.70	6.58	-25.47	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49546098

Analogs

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Popular Name: N-[(3,5-difluorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl N-[(3,5-difluorophenyl)methyl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	6.31	-24.61	1	9	0	98	429.383	6	↓ MOL2 SDF SMILES Flexibase

49546113

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(3-chlorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	7.92	-24.52	1	8	0	89	432.267	5	↓ MOL2 SDF SMILES Flexibase

49546212

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetamide N-[(2,4-difluorophenyl)methyl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	6.98	-24.8	1	8	0	89	399.357	5	↓ MOL2 SDF SMILES Flexibase

49546404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)-N-(3-methoxypropyl)acetamide 2-(2,5-dioxo-6-phenyl-7H-imidazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.14	3.7	-24.92	1	9	0	98	345.359	7	↓ MOL2 SDF SMILES Flexibase

49546452

Analogs

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Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-(2-pyridylmethyl)acetamide 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.00	5.11	-27.21	1	9	0	102	382.355	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.00	5.52	-53.01	2	9	1	103	383.363	5	↓ MOL2 SDF SMILES Flexibase

49546591

Analogs

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Popular Name: N-[(2,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetamide N-[(2,5-difluorophenyl)methyl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	6.98	-24.68	1	8	0	89	399.357	5	↓ MOL2 SDF SMILES Flexibase

49546853

Analogs

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Popular Name: 2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide 2-(2,5-dioxo-6-phenyl-7H-imidazo…

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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)	1.12	6.91	-25.62	1	8	0	89	381.367	5	↓ MOL2 SDF SMILES Flexibase

49546935

Analogs

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Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(2-fluorophenyl)methyl]acet 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.29	6.98	-26.58	1	8	0	89	399.357	5	↓ MOL2 SDF SMILES Flexibase

49546999

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-isopropoxyphenyl)methyl] 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	8.26	-25.21	1	9	0	98	455.902	7	↓ MOL2 SDF SMILES Flexibase

49547289

Analogs

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Popular Name: 2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)-N-(2-pyridylmethyl)acetamide 2-(2,5-dioxo-6-phenyl-7H-imidazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.16	5.04	-26.14	1	9	0	102	364.365	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.16	5.45	-51.28	2	9	1	103	365.373	5	↓ MOL2 SDF SMILES Flexibase

49547448

Analogs

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Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-(3-methoxypropyl)acetamide 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.03	3.77	-26.03	1	9	0	98	363.349	7	↓ MOL2 SDF SMILES Flexibase

49547536

Analogs

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Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-methoxyphenyl)methyl]ace 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.23	6.26	-26.15	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49548155

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetamide N-[(3-chlorophenyl)methyl]-2-(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	7.4	-23.95	1	8	0	89	397.822	5	↓ MOL2 SDF SMILES Flexibase

49548197

Analogs

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Popular Name: 3-[2-(4-isobutylpiperazin-1-yl)-2-oxo-ethyl]-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazole-2,5-dione 3-[2-(4-isobutylpiperazin-1-yl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.87	6.99	-23.98	0	9	0	84	398.467	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.87	8.9	-56.75	1	9	1	85	399.475	5	↓ MOL2 SDF SMILES Flexibase

49548394

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(2-fluorophenyl)methyl]-2-[6-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.18	6.19	-26.4	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49548837

Analogs

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Popular Name: N-[(2-bromophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetamide N-[(2-bromophenyl)methyl]-2-(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)	1.77	7.38	-24.45	1	8	0	89	442.273	5	↓ MOL2 SDF SMILES Flexibase

49549051

Analogs

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Popular Name: 2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)-N-(3-pyridylmethyl)acetamide 2-(2,5-dioxo-6-phenyl-7H-imidazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.23	5.1	-25.26	1	9	0	102	364.365	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.23	5.57	-54.44	2	9	1	103	365.373	5	↓ MOL2 SDF SMILES Flexibase

49549245

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]acet N-[(3-chlorophenyl)methyl]-2-[6-…

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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	7.47	-25.17	1	8	0	89	415.812	5	↓ MOL2 SDF SMILES Flexibase

49549486

Analogs

36359375
36359512

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Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-fluorophenyl)methyl]acet 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.34	7.02	-25.25	1	8	0	89	399.357	5	↓ MOL2 SDF SMILES Flexibase

49549587

Analogs

44893377

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Popular Name: N-[(4-bromophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetamide N-[(4-bromophenyl)methyl]-2-(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)	1.82	7.51	-23.51	1	8	0	89	442.273	5	↓ MOL2 SDF SMILES Flexibase

49549648

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(3-chlorophenyl)methyl]-2-[6-…

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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)	1.72	6.68	-24.86	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49549667

Analogs

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Popular Name: 6-(4-fluorophenyl)-3-[2-(4-isobutylpiperazin-1-yl)-2-oxo-ethyl]-7H-imidazo[5,1-e][1,2,4]triazole-2,5 6-(4-fluorophenyl)-3-[2-(4-isobu…

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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)	1.03	7.06	-25.03	0	9	0	84	416.457	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.03	8.98	-58.14	1	9	1	85	417.465	5	↓ MOL2 SDF SMILES Flexibase

49549738

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(3-methoxyphenyl)methyl]ace 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.72	6.71	-25.84	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49549968

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-methoxyphenyl)methyl]ace 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.74	6.71	-25.46	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49550154

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-(3-methoxypropyl)acetamide 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.54	4.22	-25.32	1	9	0	98	379.804	7	↓ MOL2 SDF SMILES Flexibase

49550219

Analogs

36359424
36359496

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Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-chlorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.37	7.93	-24.08	1	8	0	89	432.267	5	↓ MOL2 SDF SMILES Flexibase

49550531

Analogs

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Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acet 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.31	7.02	-25.8	1	8	0	89	399.357	5	↓ MOL2 SDF SMILES Flexibase

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