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49399222

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-(3,4-dimethoxyphenyl)acetamide 2-[6-(4-chlorophenyl)-3-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)	2.77	8.4	-28.91	1	9	0	100	439.859	6	↓ MOL2 SDF SMILES Flexibase

49399225

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-(3,5-dimethoxyphenyl)acetamide 2-[6-(4-chlorophenyl)-3-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)	3.16	7.81	-29.19	1	9	0	100	439.859	6	↓ MOL2 SDF SMILES Flexibase

49399231

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-(3-fluoro-4-methyl-phenyl)acetam 2-[6-(4-chlorophenyl)-3-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)	3.66	9.91	-25.35	1	7	0	81	411.824	4	↓ MOL2 SDF SMILES Flexibase

49399234

Analogs

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Popular Name: 2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-phenyl-acetamide 2-[6-(3,4-dimethylphenyl)-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)	3.27	9.91	-26.92	1	7	0	81	373.416	4	↓ MOL2 SDF SMILES Flexibase

49399237

Analogs

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Popular Name: 2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-(m-tolyl)acetamide 2-[6-(3,4-dimethylphenyl)-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)	3.69	10.56	-26.74	1	7	0	81	387.443	4	↓ MOL2 SDF SMILES Flexibase

49399241

Analogs

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Popular Name: 2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-(p-tolyl)acetamide 2-[6-(3,4-dimethylphenyl)-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)	3.72	10.56	-26.88	1	7	0	81	387.443	4	↓ MOL2 SDF SMILES Flexibase

49399244

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]acetamid N-(3,5-dimethylphenyl)-2-[6-(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)	4.10	11.25	-27.04	1	7	0	81	401.47	4	↓ MOL2 SDF SMILES Flexibase

49399247

Analogs

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Popular Name: 2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-(2,4,6-trimethylphenyl)aceta 2-[6-(3,4-dimethylphenyl)-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)	3.54	12.17	-26.42	1	7	0	81	415.497	4	↓ MOL2 SDF SMILES Flexibase

49399250

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]acetamid N-(2,5-dimethylphenyl)-2-[6-(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)	4.10	11.41	-26.87	1	7	0	81	401.47	4	↓ MOL2 SDF SMILES Flexibase

49399253

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]acetamid N-(2,6-dimethylphenyl)-2-[6-(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)	3.13	11.74	-26.69	1	7	0	81	401.47	4	↓ MOL2 SDF SMILES Flexibase

49399256

Analogs

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Popular Name: 2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-(3-methoxyphenyl)acetamide 2-[6-(3,4-dimethylphenyl)-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)	3.30	9.21	-30.21	1	8	0	91	403.442	5	↓ MOL2 SDF SMILES Flexibase

49399259

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]acetami N-(3,4-dimethoxyphenyl)-2-[6-(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	9.12	-29.48	1	9	0	100	433.468	6	↓ MOL2 SDF SMILES Flexibase

49399263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]acetami N-(3,5-dimethoxyphenyl)-2-[6-(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)	3.31	8.52	-29.85	1	9	0	100	433.468	6	↓ MOL2 SDF SMILES Flexibase

49399267

Analogs

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Popular Name: 2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-(4-ethoxyphenyl)acetamide 2-[6-(3,4-dimethylphenyl)-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)	3.70	10.11	-27.4	1	8	0	91	417.469	6	↓ MOL2 SDF SMILES Flexibase

49399270

Analogs

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Popular Name: 2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-(3-methylsulfanylphenyl)acet 2-[6-(3,4-dimethylphenyl)-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)	3.68	10.93	-29.8	1	7	0	81	419.51	5	↓ MOL2 SDF SMILES Flexibase

49399274

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]acetamide N-(4-acetylphenyl)-2-[6-(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)	3.17	10.31	-29.02	1	8	0	98	415.453	5	↓ MOL2 SDF SMILES Flexibase

49399277

Analogs

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Popular Name: N-(4-cyanophenyl)-2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]acetamide N-(4-cyanophenyl)-2-[6-(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)	3.02	10.31	-28.62	1	8	0	105	398.426	4	↓ MOL2 SDF SMILES Flexibase

49399280

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)	3.42	10.56	-34.21	1	9	0	108	431.452	6	↓ MOL2 SDF SMILES Flexibase

49399283

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]acetamide N-(3-chlorophenyl)-2-[6-(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)	3.92	10.43	-27.97	1	7	0	81	407.861	4	↓ MOL2 SDF SMILES Flexibase

49399286

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]acetamide N-(4-chlorophenyl)-2-[6-(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)	3.95	10.43	-26.31	1	7	0	81	407.861	4	↓ MOL2 SDF SMILES Flexibase

49399289

Analogs

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Popular Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[2-[4-(2-methoxyphenyl)piperaz…

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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	10.76	-27.38	0	9	0	85	444.495	5	↓ MOL2 SDF SMILES Flexibase

49399291

Analogs

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Popular Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[2-[4-(4-methoxyphenyl)piperaz…

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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	10.25	-28.73	0	9	0	85	444.495	5	↓ MOL2 SDF SMILES Flexibase

49399294

Analogs

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Popular Name: 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 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)	2.70	11.46	-26.47	0	8	0	76	432.459	4	↓ MOL2 SDF SMILES Flexibase

49399297

Analogs

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Popular Name: 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[2-[4-(4-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)	2.74	11.03	-28.04	0	8	0	76	432.459	4	↓ MOL2 SDF SMILES Flexibase

49399300

Analogs

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Popular Name: 6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[3,4-f]pyridazin-3-one 6-(4-chlorophenyl)-2-[2-oxo-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)	3.26	11.48	-26.62	0	8	0	76	448.914	4	↓ MOL2 SDF SMILES Flexibase

49399303

Analogs

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Popular Name: 6-(3,4-dimethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[3,4-f]pyridazin-3-o 6-(3,4-dimethylphenyl)-2-[2-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)	3.41	12.18	-27	0	8	0	76	442.523	4	↓ MOL2 SDF SMILES Flexibase

49399306

Analogs

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Popular Name: N-cyclohexyl-2-(3-oxo-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-2-yl)acetamide N-cyclohexyl-2-(3-oxo-6-phenyl-[…

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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)	2.65	8.48	-26.06	1	7	0	81	351.41	4	↓ MOL2 SDF SMILES Flexibase

49399309

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-(3-oxo-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-2-yl)acetamide N-[(4-methoxyphenyl)methyl]-2-(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)	2.20	8.1	-26.3	1	8	0	91	389.415	6	↓ MOL2 SDF SMILES Flexibase

49399316

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-cyclopentyl-acetamide 2-[6-(4-chlorophenyl)-3-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)	2.82	8.48	-25.6	1	7	0	81	371.828	4	↓ MOL2 SDF SMILES Flexibase

49399319

Analogs

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Popular Name: 2-[6-(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-cyclohexyl-acetamide 2-[6-(4-chlorophenyl)-3-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)	3.33	9	-25.77	1	7	0	81	385.855	4	↓ MOL2 SDF SMILES Flexibase

49399325

Analogs

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Popular Name: N-cyclohexyl-2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]acetamide N-cyclohexyl-2-[6-(3,4-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)	3.48	9.7	-26.15	1	7	0	81	379.464	4	↓ MOL2 SDF SMILES Flexibase

49399328

Analogs

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Popular Name: 2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-[(2-methoxyphenyl)methyl]ace 2-[6-(3,4-dimethylphenyl)-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)	2.98	9.36	-27.4	1	8	0	91	417.469	6	↓ MOL2 SDF SMILES Flexibase

49399331

Analogs

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Popular Name: 2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-yl]-N-[(4-methoxyphenyl)methyl]ace 2-[6-(3,4-dimethylphenyl)-3-oxo-…

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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)	3.03	9.32	-26.37	1	8	0	91	417.469	6	↓ MOL2 SDF SMILES Flexibase

49399335

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[6-(3,4-dimethylphenyl)-3-oxo-[1,2,4]triazolo[3,4-f]pyridazin-2-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)	3.65	10.54	-25.2	1	7	0	81	421.888	5	↓ MOL2 SDF SMILES Flexibase

49399339

Analogs

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Popular Name: 2-(o-tolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-(o-tolylmethyl)-6-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)	3.64	10.9	-18.29	0	5	0	52	316.364	3	↓ MOL2 SDF SMILES Flexibase

49399342

Analogs

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Popular Name: 6-phenyl-2-[(4-vinylphenyl)methyl]-[1,2,4]triazolo[3,4-f]pyridazin-3-one 6-phenyl-2-[(4-vinylphenyl)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)	4.09	11.29	-18.67	0	5	0	52	328.375	4	↓ MOL2 SDF SMILES Flexibase

49399345

Analogs

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Popular Name: 2-[(3-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[(3-methoxyphenyl)methyl]-6-ph…

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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	9.5	-21.56	0	6	0	61	332.363	4	↓ MOL2 SDF SMILES Flexibase

49399350

Analogs

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Popular Name: 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[[4-(2-oxopyrrolidin-1-yl)phen…

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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)	2.60	11.3	-28.33	0	7	0	73	385.427	4	↓ MOL2 SDF SMILES Flexibase

49399354

Analogs

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Popular Name: 2-[(2-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[(2-fluorophenyl)methyl]-6-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)	3.35	10.21	-18.13	0	5	0	52	320.327	3	↓ MOL2 SDF SMILES Flexibase

49399357

Analogs

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Popular Name: 2-[(4-fluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[(4-fluorophenyl)methyl]-6-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)	3.40	10.26	-17.97	0	5	0	52	320.327	3	↓ MOL2 SDF SMILES Flexibase

49399360

Analogs

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Popular Name: 2-[(3,5-difluorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[(3,5-difluorophenyl)methyl]-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)	3.49	10.32	-17.64	0	5	0	52	338.317	3	↓ MOL2 SDF SMILES Flexibase

49399363

Analogs

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Popular Name: 2-[(3-chlorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[(3-chlorophenyl)methyl]-6-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)	3.89	10.7	-16.87	0	5	0	52	336.782	3	↓ MOL2 SDF SMILES Flexibase

49399365

Analogs

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Popular Name: 2-[(4-chlorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[(4-chlorophenyl)methyl]-6-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)	3.91	10.71	-17.53	0	5	0	52	336.782	3	↓ MOL2 SDF SMILES Flexibase

49399367

Analogs

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Popular Name: 2-[(3-bromophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[(3-bromophenyl)methyl]-6-phen…

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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)	4.02	10.8	-16.78	0	5	0	52	381.233	3	↓ MOL2 SDF SMILES Flexibase

49399370

Analogs

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Popular Name: 2-[(2-chloro-6-fluoro-phenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[(2-chloro-6-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)	3.98	10.61	-19.96	0	5	0	52	354.772	3	↓ MOL2 SDF SMILES Flexibase

49399373

Analogs

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Popular Name: 2-[(3-fluoro-4-methoxy-phenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[(3-fluoro-4-methoxy-phenyl)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)	3.38	9.56	-22.83	0	6	0	61	350.353	4	↓ MOL2 SDF SMILES Flexibase

49399376

Analogs

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Popular Name: 6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[3,4-f]pyridazin-3-one 6-phenyl-2-[[3-(trifluoromethyl)…

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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)	4.11	11.21	-16.94	0	5	0	52	370.334	4	↓ MOL2 SDF SMILES Flexibase

49399379

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)	2.56	9.13	-23.63	0	8	0	92	350.334	5	↓ MOL2 SDF SMILES Flexibase

49399381

Analogs

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Popular Name: 2-[(3-oxo-6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one 2-[(3-oxo-6-phenyl-[1,2,4]triazo…

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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	9.99	-26.92	0	8	0	87	370.372	3	↓ MOL2 SDF SMILES Flexibase

49399384

Analogs

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Popular Name: 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-6-(p-tolyl)-[1,2,4]triazolo[3,4-f]pyridazin-3-one 2-[[4-(2-oxopyrrolidin-1-yl)phen…

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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	11.99	-28.23	0	7	0	73	399.454	4	↓ MOL2 SDF SMILES Flexibase

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