ZINC 12

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ZINC Item

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12227837

Analogs

34588111

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 4,6-dimethyl-1-phenyl-pyrazolo[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)	1.29	5.45	-12.91	0	5	0	53	240.266	1	↓ MOL2 SDF SMILES Flexibase

12227841

Analogs

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Popular Name: 4-methyl-6-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 4-methyl-6-(2-oxo-2-pyrrolidin-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)	1.05	0.41	-21	0	7	0	73	337.383	3	↓ MOL2 SDF SMILES Flexibase

12227847

Analogs

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Popular Name: 4-methyl-6-(2-morpholino-2-oxo-ethyl)-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 4-methyl-6-(2-morpholino-2-oxo-e…

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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)	0.49	-0.49	-20.68	0	8	0	82	353.382	3	↓ MOL2 SDF SMILES Flexibase

12227851

Analogs

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Popular Name: 4-methyl-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 4-methyl-6-[2-oxo-2-(4-phenylpip…

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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	-1.1	-21.04	0	8	0	76	428.496	4	↓ MOL2 SDF SMILES Flexibase

12227857

Analogs

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Popular Name: 6-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 6-[2-(4-benzyl-1-piperidyl)-2-ox…

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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)	3.22	1.34	-20.5	0	7	0	73	441.535	5	↓ MOL2 SDF SMILES Flexibase

12227864

Analogs

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Popular Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 6-[2-(3,4-dihydro-2H-quinolin-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)	2.85	1.18	-22.33	0	7	0	73	399.454	3	↓ MOL2 SDF SMILES Flexibase

12227867

Analogs

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Popular Name: 6-(2-indolin-1-yl-2-oxo-ethyl)-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 6-(2-indolin-1-yl-2-oxo-ethyl)-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)	2.34	1.22	-20.3	0	7	0	73	385.427	3	↓ MOL2 SDF SMILES Flexibase

12227871

Analogs

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Popular Name: 2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide 2-(4-methyl-7-oxo-1-phenyl-pyraz…

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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	-1.45	-20.52	2	7	0	96	283.291	3	↓ MOL2 SDF SMILES Flexibase

12227877

Analogs

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Popular Name: N-(2-fluorophenyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(2-fluorophenyl)-2-(4-methyl-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)	2.21	1.26	-19.71	1	7	0	82	377.379	4	↓ MOL2 SDF SMILES Flexibase

12227883

Analogs

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Popular Name: N-(3-fluorophenyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(3-fluorophenyl)-2-(4-methyl-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)	2.24	1.23	-23.1	1	7	0	82	377.379	4	↓ MOL2 SDF SMILES Flexibase

12227887

Analogs

12228268

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Popular Name: N-(4-fluorophenyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(4-fluorophenyl)-2-(4-methyl-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)	2.26	1.22	-20.76	1	7	0	82	377.379	4	↓ MOL2 SDF SMILES Flexibase

12227893

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(2,4-difluorophenyl)-2-(4-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	2.01	-18.13	1	7	0	82	395.369	4	↓ MOL2 SDF SMILES Flexibase

12227900

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(2,4-dimethoxyphenyl)-2-(4-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)	2.14	0.62	-21.27	1	9	0	100	419.441	6	↓ MOL2 SDF SMILES Flexibase

12227906

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(2,5-dimethoxyphenyl)-2-(4-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)	2.14	0.62	-23.59	1	9	0	100	419.441	6	↓ MOL2 SDF SMILES Flexibase

12227912

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(3,4-dimethoxyphenyl)-2-(4-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)	1.74	0.81	-23.48	1	9	0	100	419.441	6	↓ MOL2 SDF SMILES Flexibase

12227917

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(1,3-benzodioxol-5-yl)-2-(4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	-0.37	-25.14	1	9	0	100	403.398	4	↓ MOL2 SDF SMILES Flexibase

12227924

Analogs

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetam N-(2,3-dihydro-1,4-benzodioxin-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)	1.61	-0.4	-22.56	1	9	0	100	417.425	4	↓ MOL2 SDF SMILES Flexibase

12227931

Analogs

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Popular Name: 2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-[2-(trifluoromethyl)phenyl]acetamide 2-(4-methyl-7-oxo-1-phenyl-pyraz…

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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	2.92	-19.04	1	7	0	82	427.386	5	↓ MOL2 SDF SMILES Flexibase

12227937

Analogs

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Popular Name: 2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide 2-(4-methyl-7-oxo-1-phenyl-pyraz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.97	2.64	-19.21	1	7	0	82	427.386	5	↓ MOL2 SDF SMILES Flexibase

12227943

Analogs

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Popular Name: 2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-[4-(trifluoromethyl)phenyl]acetamide 2-(4-methyl-7-oxo-1-phenyl-pyraz…

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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	2.65	-20.65	1	7	0	82	427.386	5	↓ MOL2 SDF SMILES Flexibase

12227948

Analogs

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Popular Name: 2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide 2-(4-methyl-7-oxo-1-phenyl-pyraz…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	2.01	-19.77	1	8	0	91	443.385	6	↓ MOL2 SDF SMILES Flexibase

12227953

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)	2.27	1.61	-22.74	1	9	0	108	417.425	6	↓ MOL2 SDF SMILES Flexibase

12227957

Analogs

13970511

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Popular Name: N-(3-acetamidophenyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(3-acetamidophenyl)-2-(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)	1.29	-0.63	-24.66	2	9	0	111	416.441	5	↓ MOL2 SDF SMILES Flexibase

12227963

Analogs

13970511

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Popular Name: N-(4-acetamidophenyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(4-acetamidophenyl)-2-(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)	1.32	-0.62	-25.91	2	9	0	111	416.441	5	↓ MOL2 SDF SMILES Flexibase

12227968

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-[(4-fluorophenyl)methyl]-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)	1.96	0.42	-19.79	1	7	0	82	391.406	5	↓ MOL2 SDF SMILES Flexibase

12227974

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(1,3-benzodioxol-5-ylmethyl)-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)	1.69	-1.16	-21.57	1	9	0	100	417.425	5	↓ MOL2 SDF SMILES Flexibase

12227980

Analogs

21649567

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Popular Name: N-(2-furylmethyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(2-furylmethyl)-2-(4-methyl-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)	1.06	0.2	-19.95	1	8	0	95	363.377	5	↓ MOL2 SDF SMILES Flexibase

12227985

Analogs

12227993

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Popular Name: 2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]aceta 2-(4-methyl-7-oxo-1-phenyl-pyraz…

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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)	0.77	-1.96	-21	1	8	0	91	367.409	5	↓ MOL2 SDF SMILES Flexibase

12227993

Analogs

12227985

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Popular Name: 2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]aceta 2-(4-methyl-7-oxo-1-phenyl-pyraz…

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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)	0.77	-1.87	-19.95	1	8	0	91	367.409	5	↓ MOL2 SDF SMILES Flexibase

12227998

Analogs

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Popular Name: 2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-phenethyl-acetamide 2-(4-methyl-7-oxo-1-phenyl-pyraz…

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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	-0.19	-21.63	1	7	0	82	387.443	6	↓ MOL2 SDF SMILES Flexibase

12228006

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-[2-(3,4-dimethoxyphenyl)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)	1.85	0.16	-25.85	1	9	0	100	447.495	8	↓ MOL2 SDF SMILES Flexibase

12228013

Analogs

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Popular Name: N-(5-methylisoxazol-3-yl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(5-methylisoxazol-3-yl)-2-(4-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	1.51	-20.18	1	9	0	108	364.365	4	↓ MOL2 SDF SMILES Flexibase

12228018

Analogs

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Popular Name: 4-[[2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]benzamide 4-[[2-(4-methyl-7-oxo-1-phenyl-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)	0.92	-2.23	-24.58	3	9	0	125	402.414	5	↓ MOL2 SDF SMILES Flexibase

12228023

Analogs

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Popular Name: 6-[(3-fluorophenyl)methyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 6-[(3-fluorophenyl)methyl]-4-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)	3.03	2.43	-14.74	0	5	0	53	334.354	3	↓ MOL2 SDF SMILES Flexibase

12228027

Analogs

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Popular Name: 6-[(4-fluorophenyl)methyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 6-[(4-fluorophenyl)methyl]-4-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)	3.05	2.43	-12.74	0	5	0	53	334.354	3	↓ MOL2 SDF SMILES Flexibase

12228033

Analogs

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Popular Name: 4-methyl-1-phenyl-6-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyridazin-7-one 4-methyl-1-phenyl-6-[[3-(trifluo…

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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	3.87	-14.74	0	5	0	53	384.361	4	↓ MOL2 SDF SMILES Flexibase

12228039

Analogs

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Popular Name: 4-methyl-1-phenyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyridazin-7-one 4-methyl-1-phenyl-6-[[4-(trifluo…

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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)	3.78	3.86	-12.62	0	5	0	53	384.361	4	↓ MOL2 SDF SMILES Flexibase

12228044

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)	2.22	2.98	-18.43	0	8	0	92	364.361	5	↓ MOL2 SDF SMILES Flexibase

12228050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2-fluorophenyl)methyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 6-[(2-fluorophenyl)methyl]-4-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)	3.00	2.23	-15.88	0	5	0	53	334.354	3	↓ MOL2 SDF SMILES Flexibase

12228053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-phenyl-6-(2-pyridylmethyl)pyrazolo[5,4-d]pyridazin-7-one 4-methyl-1-phenyl-6-(2-pyridylme…

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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	0.73	-17.02	0	6	0	66	317.352	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.72	0.9	-34.7	1	6	1	67	318.36	3	↓ MOL2 SDF SMILES Flexibase

12228057

Analogs

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Popular Name: N-methyl-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-methyl-2-(4-methyl-7-oxo-1-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)	0.40	-0.56	-20.68	1	7	0	82	297.318	3	↓ MOL2 SDF SMILES Flexibase

12228063

Analogs

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Popular Name: N-(2-methoxyethyl)-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(2-methoxyethyl)-2-(4-methyl-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)	0.39	-1.13	-20.95	1	8	0	91	341.371	6	↓ MOL2 SDF SMILES Flexibase

12228069

Analogs

12228078
18045146

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Popular Name: 6-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7- 6-[2-[(2R,6R)-2,6-dimethylmorpho…

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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)	1.22	0.33	-20.18	0	8	0	82	381.436	3	↓ MOL2 SDF SMILES Flexibase

12228078

Analogs

18045146
12228069

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Popular Name: 6-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7- 6-[2-[(2S,6S)-2,6-dimethylmorpho…

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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)	1.22	0.32	-19.82	0	8	0	82	381.436	3	↓ MOL2 SDF SMILES Flexibase

12228084

Analogs

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Popular Name: 6-[(3,5-dimethoxyphenyl)methyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 6-[(3,5-dimethoxyphenyl)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)	2.93	1.73	-15.82	0	7	0	71	376.416	5	↓ MOL2 SDF SMILES Flexibase

12228091

Analogs

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Popular Name: 4-methyl-6-phenethyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 4-methyl-6-phenethyl-1-phenyl-py…

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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	1.82	-13.12	0	5	0	53	330.391	4	↓ MOL2 SDF SMILES Flexibase

12228097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-1-phenyl-pyrazolo[5,4-d]pyridazin-7-one 6-[(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)	3.63	2.27	-12.52	0	5	0	53	368.799	3	↓ MOL2 SDF SMILES Flexibase

12228101

Analogs

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Popular Name: 2-[1-(3-chlorophenyl)-4-methyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(2-fluorophenyl)acetamide 2-[1-(3-chlorophenyl)-4-methyl-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)	3.08	1.11	-20.15	1	7	0	82	411.824	4	↓ MOL2 SDF SMILES Flexibase

12228105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3-chlorophenyl)-4-methyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(3-fluorophenyl)acetamide 2-[1-(3-chlorophenyl)-4-methyl-7…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	1.09	-23.22	1	7	0	82	411.824	4	↓ MOL2 SDF SMILES Flexibase

12228110

Analogs

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Popular Name: 2-[1-(3-chlorophenyl)-4-methyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide 2-[1-(3-chlorophenyl)-4-methyl-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)	3.13	1.08	-20.93	1	7	0	82	411.824	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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