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ZINC Item

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64970621

Analogs

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Popular Name: 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3,7-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin 5-[2-[4-(3-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)	2.49	10.04	-20.84	0	9	0	86	472.549	5	↓ MOL2 SDF SMILES Flexibase

64970625

Analogs

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Popular Name: 5-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3,7-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin- 5-[2-[4-(3-chlorophenyl)piperazi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	11.25	-19.56	0	8	0	76	476.968	4	↓ MOL2 SDF SMILES Flexibase

64970628

Analogs

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Popular Name: 5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-3,7-dimethyl-2-phenyl-pyrazolo[3,4-d]pyrida 5-[2-[4-(2,3-dimethylphenyl)pipe…

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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	12.77	-18.06	0	8	0	76	470.577	4	↓ MOL2 SDF SMILES Flexibase

64970629

Analogs

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Popular Name: 5-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-3,7-dimethyl-2-phenyl-pyrazolo[3,4-d] 5-[2-[4-(5-chloro-2-methyl-pheny…

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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)	3.51	12.75	-18.27	0	8	0	76	490.995	4	↓ MOL2 SDF SMILES Flexibase

64970632

Analogs

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Popular Name: 3,7-dimethyl-5-[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-2-phenyl-pyrazolo[3,4-d]pyr 3,7-dimethyl-5-[2-[(3S)-3-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)	3.21	12.09	-17.97	0	8	0	76	470.577	4	↓ MOL2 SDF SMILES Flexibase

64970633

Analogs

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Popular Name: 3,7-dimethyl-5-[2-[(3R)-3-methyl-4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-2-phenyl-pyrazolo[3,4-d]pyr 3,7-dimethyl-5-[2-[(3R)-3-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)	3.21	12.28	-18.48	0	8	0	76	470.577	4	↓ MOL2 SDF SMILES Flexibase

64970636

Analogs

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Popular Name: 5-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-3,7-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-4-one 5-[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)	3.44	12.88	-19.55	0	7	0	73	455.562	5	↓ MOL2 SDF SMILES Flexibase

64970641

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-(2-furylmethyl)-N-methyl-acetamide 2-(3,7-dimethyl-4-oxo-2-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)	1.52	8.8	-21.86	0	8	0	86	391.431	5	↓ MOL2 SDF SMILES Flexibase

64970644

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetamide N-[(3-chlorophenyl)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)	2.67	9.1	-17.83	1	7	0	82	421.888	5	↓ MOL2 SDF SMILES Flexibase

64970648

Analogs

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Popular Name: N-tert-butyl-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetamide N-tert-butyl-2-(3,7-dimethyl-4-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	6.88	-17.29	1	7	0	82	353.426	4	↓ MOL2 SDF SMILES Flexibase

64970649

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetamide N-[2-(4-chlorophenyl)ethyl]-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)	3.10	9.88	-20.04	1	7	0	82	435.915	6	↓ MOL2 SDF SMILES Flexibase

64970658

Analogs

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Popular Name: N-cyclopentyl-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetamide N-cyclopentyl-2-(3,7-dimethyl-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)	2.02	7.75	-18.06	1	7	0	82	365.437	4	↓ MOL2 SDF SMILES Flexibase

64970661

Analogs

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Popular Name: N-[3-(diethylamino)propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetamide N-[3-(diethylamino)propyl]-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)	1.67	9.01	-49.41	2	8	1	86	411.53	9	↓ MOL2 SDF SMILES Flexibase

64970663

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetam 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)	2.07	8.55	-23.87	1	9	0	100	461.522	8	↓ MOL2 SDF SMILES Flexibase

64970666

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide 2-(3,7-dimethyl-4-oxo-2-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)	2.08	7.89	-18.52	1	8	0	91	417.469	6	↓ MOL2 SDF SMILES Flexibase

64970670

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-(3-phenylpropyl)acetamide 2-(3,7-dimethyl-4-oxo-2-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)	2.94	10.14	-18.7	1	7	0	82	415.497	7	↓ MOL2 SDF SMILES Flexibase

64970675

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-propyl-acetamide 2-(3,7-dimethyl-4-oxo-2-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)	1.50	6.34	-17.98	1	7	0	82	339.399	5	↓ MOL2 SDF SMILES Flexibase

64970677

Analogs

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Popular Name: N-(2-diethylaminoethyl)-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetamide N-(2-diethylaminoethyl)-2-(3,7-d…

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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)	1.40	8.22	-48.15	2	8	1	86	397.503	8	↓ MOL2 SDF SMILES Flexibase

64970679

Analogs

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Popular Name: N-cyclopropyl-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetamide N-cyclopropyl-2-(3,7-dimethyl-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)	0.99	6.45	-17.98	1	7	0	82	337.383	4	↓ MOL2 SDF SMILES Flexibase

64970680

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-isopentyl-acetamide 2-(3,7-dimethyl-4-oxo-2-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)	2.27	7.63	-17.9	1	7	0	82	367.453	6	↓ MOL2 SDF SMILES Flexibase

64970685

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide 2-(3,7-dimethyl-4-oxo-2-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)	2.03	7.93	-19.46	1	8	0	91	417.469	6	↓ MOL2 SDF SMILES Flexibase

64970693

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-(1,1-dimethylpropyl)acetamide 2-(3,7-dimethyl-4-oxo-2-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)	2.31	7.38	-17.08	1	7	0	82	367.453	5	↓ MOL2 SDF SMILES Flexibase

64970698

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-(3-ethoxypropyl)acetamide 2-(3,7-dimethyl-4-oxo-2-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)	1.25	6.37	-18.29	1	8	0	91	383.452	8	↓ MOL2 SDF SMILES Flexibase

64970703

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[(1S)-1-methyl-3-phenyl-propyl]aceta 2-(3,7-dimethyl-4-oxo-2-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)	3.27	11.14	-18.77	1	7	0	82	429.524	7	↓ MOL2 SDF SMILES Flexibase

64970705

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[(1R)-1-methyl-3-phenyl-propyl]aceta 2-(3,7-dimethyl-4-oxo-2-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)	3.27	11.14	-18.85	1	7	0	82	429.524	7	↓ MOL2 SDF SMILES Flexibase

64970707

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-(3-methoxypropyl)acetamide 2-(3,7-dimethyl-4-oxo-2-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)	0.88	5.4	-18.38	1	8	0	91	369.425	7	↓ MOL2 SDF SMILES Flexibase

64970708

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-(3-isopropoxypropyl)acetamide 2-(3,7-dimethyl-4-oxo-2-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)	1.62	7.12	-18.23	1	8	0	91	397.479	8	↓ MOL2 SDF SMILES Flexibase

64970715

Analogs

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Popular Name: N-cyclohexyl-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetamide N-cyclohexyl-2-(3,7-dimethyl-4-o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	8.27	-18.15	1	7	0	82	379.464	4	↓ MOL2 SDF SMILES Flexibase

64970717

Analogs

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Popular Name: N-butyl-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetamide N-butyl-2-(3,7-dimethyl-4-oxo-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)	2.06	7.11	-17.85	1	7	0	82	353.426	6	↓ MOL2 SDF SMILES Flexibase

64970729

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-y 2-(3,7-dimethyl-4-oxo-2-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)	1.62	8.93	-24.23	1	9	0	100	447.543	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.62	9.06	-42.29	2	9	1	101	448.551	7	↓ MOL2 SDF SMILES Flexibase

64970735

Analogs

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Popular Name: N-[3-[benzyl(methyl)amino]propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)aceta N-[3-[benzyl(methyl)amino]propyl…

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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	11.23	-54.24	2	8	1	86	459.574	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.32	8.9	-18.83	1	8	0	85	458.566	9	↓ MOL2 SDF SMILES Flexibase

64970738

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[3-[(2R)-2-ethyl-1-piperidyl]propyl] 2-(3,7-dimethyl-4-oxo-2-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)	2.70	10.6	-49.35	2	8	1	86	451.595	8	↓ MOL2 SDF SMILES Flexibase

64970740

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[3-[(2S)-2-ethyl-1-piperidyl]propyl] 2-(3,7-dimethyl-4-oxo-2-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)	2.70	10.61	-49.26	2	8	1	86	451.595	8	↓ MOL2 SDF SMILES Flexibase

64970742

Analogs

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Popular Name: N-[3-(azepan-1-yl)propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetamide N-[3-(azepan-1-yl)propyl]-2-(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)	2.34	10.07	-51.45	2	8	1	86	437.568	7	↓ MOL2 SDF SMILES Flexibase

64970743

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[3-[(2S)-2-methyl-1-piperidyl]propyl 2-(3,7-dimethyl-4-oxo-2-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)	2.16	10.01	-48.72	2	8	1	86	437.568	7	↓ MOL2 SDF SMILES Flexibase

64970746

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[3-[(2R)-2-methyl-1-piperidyl]propyl 2-(3,7-dimethyl-4-oxo-2-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)	2.16	10.01	-48.8	2	8	1	86	437.568	7	↓ MOL2 SDF SMILES Flexibase

64970754

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]acet 2-(3,7-dimethyl-4-oxo-2-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	6.97	-47.67	2	9	1	89	438.556	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.92	4.69	-18.73	1	9	0	88	437.548	7	↓ MOL2 SDF SMILES Flexibase

64970755

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[(2-ethoxyphenyl)methyl]acetamide 2-(3,7-dimethyl-4-oxo-2-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)	2.40	8.85	-19.38	1	8	0	91	431.496	7	↓ MOL2 SDF SMILES Flexibase

64970756

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[[1-(p-tolylmethyl)-4-piperidyl]meth 2-(3,7-dimethyl-4-oxo-2-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)	3.27	13.07	-55.34	2	8	1	86	499.639	7	↓ MOL2 SDF SMILES Flexibase

64970759

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[(3-ethoxy-4-methoxy-phenyl)methyl]a 2-(3,7-dimethyl-4-oxo-2-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)	2.04	8.7	-20.67	1	9	0	100	461.522	8	↓ MOL2 SDF SMILES Flexibase

64970761

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Popular Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazi N-[3-(3,4-dihydro-1H-isoquinolin…

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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)	2.31	11.66	-55.54	2	8	1	86	471.585	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.31	9.39	-19.35	1	8	0	85	470.577	7	↓ MOL2 SDF SMILES Flexibase

64970764

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]ac 2-(3,7-dimethyl-4-oxo-2-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)	1.69	8.5	-49.82	2	9	1	89	466.61	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.69	6.23	-18.33	1	9	0	88	465.602	9	↓ MOL2 SDF SMILES Flexibase

64970766

Analogs

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Popular Name: N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)ac N-[2-[cyclohexyl(methyl)amino]et…

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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	9.9	-49.8	2	8	1	86	437.568	7	↓ MOL2 SDF SMILES Flexibase

64970768

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetami N-[(3,4-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)	1.67	7.79	-20.76	1	9	0	100	447.495	7	↓ MOL2 SDF SMILES Flexibase

64970771

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]a 2-(3,7-dimethyl-4-oxo-2-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)	2.04	8.7	-20.48	1	9	0	100	461.522	8	↓ MOL2 SDF SMILES Flexibase

64970773

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetami N-[(2,4-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)	2.06	7.22	-20.16	1	9	0	100	447.495	7	↓ MOL2 SDF SMILES Flexibase

64970774

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Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)acetami N-[(2,5-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)	2.06	7.2	-20.22	1	9	0	100	447.495	7	↓ MOL2 SDF SMILES Flexibase

64970777

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[(4-ethoxyphenyl)methyl]acetamide 2-(3,7-dimethyl-4-oxo-2-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)	2.45	8.81	-18.37	1	8	0	91	431.496	7	↓ MOL2 SDF SMILES Flexibase

64970781

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-(3-propylsulfanylpropyl)acetamide 2-(3,7-dimethyl-4-oxo-2-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)	2.30	9.24	-17.98	1	7	0	82	413.547	9	↓ MOL2 SDF SMILES Flexibase

64970785

Analogs

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Popular Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-(o-tolylmethyl)acetamide 2-(3,7-dimethyl-4-oxo-2-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)	2.42	9.38	-17.24	1	7	0	82	401.47	5	↓ MOL2 SDF SMILES Flexibase

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