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ZINC Item

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29144601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxo-pyridazine-3-carboxamide 1-(4-chlorophenyl)-N-[3-(methoxy…

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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)	3.18	9.3	-20.14	1	6	0	73	383.835	5	↓ MOL2 SDF SMILES Flexibase

18943016

Analogs

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Popular Name: N-[4-(difluoromethylsulfanyl)phenyl]-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-[4-(difluoromethylsulfanyl)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)	3.56	10.38	-21.26	1	5	0	64	387.411	5	↓ MOL2 SDF SMILES Flexibase

18943303

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-(2,4-dimethylphenyl)-6-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)	3.39	10.69	-19.2	1	5	0	64	333.391	3	↓ MOL2 SDF SMILES Flexibase

18944531

Analogs

7402704
7950883

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Popular Name: N-(4-isopropylphenyl)-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-(4-isopropylphenyl)-6-methyl-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)	4.08	10.97	-18.9	1	5	0	64	347.418	4	↓ MOL2 SDF SMILES Flexibase

18944929

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-(5-fluoro-2-methyl-phenyl)-6-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)	3.11	10.09	-21.08	1	5	0	64	337.354	3	↓ MOL2 SDF SMILES Flexibase

18945429

Analogs

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Popular Name: N-(3-iodophenyl)-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-(3-iodophenyl)-6-methyl-4-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)	3.63	10.18	-19.63	1	5	0	64	431.233	3	↓ MOL2 SDF SMILES Flexibase

18945795

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-(2-bromo-4-methyl-phenyl)-6-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)	3.75	10.51	-16.65	1	5	0	64	398.26	3	↓ MOL2 SDF SMILES Flexibase

18946422

Analogs

8883054

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Popular Name: N-[3-chloro-4-(difluoromethoxy)phenyl]-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-[3-chloro-4-(difluoromethoxy)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)	3.79	9.19	-21.01	1	6	0	73	405.788	5	↓ MOL2 SDF SMILES Flexibase

18947767

Analogs

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Popular Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-[3-(diethylsulfamoyl)-4-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)	3.01	9.25	-31.4	1	8	0	101	454.552	7	↓ MOL2 SDF SMILES Flexibase

20005549

Analogs

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Popular Name: propyl 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)	4.46	12.1	-24.12	1	7	0	90	425.872	7	↓ MOL2 SDF SMILES Flexibase

20005641

Analogs

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Popular Name: 1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methoxy-phenyl]-6-methyl-4-oxo-pyridazine-3-carboxamid 1-(2-chlorophenyl)-N-[5-(dimethy…

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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)	2.71	7.2	-31.2	1	9	0	111	476.942	6	↓ MOL2 SDF SMILES Flexibase

20006182

Analogs

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Popular Name: N-(2-chloro-4,6-dimethyl-phenyl)-1-(2-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide N-(2-chloro-4,6-dimethyl-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)	4.84	11.67	-22.81	1	5	0	64	402.281	3	↓ MOL2 SDF SMILES Flexibase

12039239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-(4-methylsulfanylphenyl)-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxamide 6-methyl-N-(4-methylsulfanylphen…

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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)	3.12	1.98	-28.43	1	8	0	110	396.428	5	↓ MOL2 SDF SMILES Flexibase

12039474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]-pyridazine-3-carboxamide 6-methyl-N-(4-methylsulfanylphen…

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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)	4.08	3.31	-21.99	1	5	0	64	419.428	5	↓ MOL2 SDF SMILES Flexibase

22702284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-6-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-oxo-pyridazine-3-carboxamide 1-(2-chlorophenyl)-6-methyl-N-[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)	2.85	6.92	-32.29	2	8	0	110	446.916	5	↓ MOL2 SDF SMILES Flexibase

22702292

Analogs

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Popular Name: 1-(4-chlorophenyl)-6-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-oxo-pyridazine-3-carboxamide 1-(4-chlorophenyl)-6-methyl-N-[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)	2.69	6.72	-30.93	2	8	0	110	446.916	5	↓ MOL2 SDF SMILES Flexibase

22738455

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide N-(5-chloro-2-methyl-phenyl)-6-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)	4.68	11.76	-24.48	1	5	0	64	421.806	4	↓ MOL2 SDF SMILES Flexibase

22753717

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-[3-(difluoromethoxy)-4-methoxy-phenyl]-6-methyl-4-oxo-pyridazine-3-carboxamide 1-(4-chlorophenyl)-N-[3-(difluor…

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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)	3.45	9.09	-21.8	1	7	0	82	435.814	6	↓ MOL2 SDF SMILES Flexibase

22993629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-N-(3-methanesulfonamido-4-methoxy-phenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide 1-(2-chlorophenyl)-N-(3-methanes…

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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)	2.63	5.94	-26.55	2	9	0	119	462.915	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.63	5.98	-58.32	1	9	-1	121	461.907	6	↓ MOL2 SDF SMILES Flexibase

22993633

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-(3-methanesulfonamido-4-methoxy-phenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide 1-(4-chlorophenyl)-N-(3-methanes…

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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)	2.46	5.77	-25.21	2	9	0	119	462.915	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.46	5.8	-55.4	1	9	-1	121	461.907	6	↓ MOL2 SDF SMILES Flexibase

23003438

Analogs

8060918

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-acetamido-2-fluoro-phenyl)-1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide N-(5-acetamido-2-fluoro-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)	2.56	8.55	-21.1	2	7	0	93	414.824	4	↓ MOL2 SDF SMILES Flexibase

23003488

Analogs

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Popular Name: N-(5-acetamido-2-fluoro-phenyl)-1-(2-fluorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide N-(5-acetamido-2-fluoro-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)	2.21	8.19	-23.61	2	7	0	93	398.369	4	↓ MOL2 SDF SMILES Flexibase

23359553

Analogs

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Popular Name: N-(3-ethynylphenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide N-(3-ethynylphenyl)-6-methyl-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)	3.39	11.32	-26.6	1	5	0	64	397.356	4	↓ MOL2 SDF SMILES Flexibase

14249195

Analogs

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Popular Name: N-(5-tert-butyl-2-hydroxy-phenyl)-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-(5-tert-butyl-2-hydroxy-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)	3.98	8.66	-19.08	2	6	0	84	377.444	4	↓ MOL2 SDF SMILES Flexibase

14553936

Analogs

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Popular Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridazine-3-carboxamide 1-(4-chlorophenyl)-6-methyl-4-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)	4.18	10.42	-19.43	1	6	0	73	437.805	6	↓ MOL2 SDF SMILES Flexibase

14553999

Analogs

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Popular Name: 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridazine-3-carboxamide 1-(2-fluorophenyl)-6-methyl-4-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)	3.83	10.03	-23.31	1	6	0	73	421.35	6	↓ MOL2 SDF SMILES Flexibase

65492825

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-[3-[ethyl(methyl)amino]phenyl]-6-methyl-4-oxo-pyridazine-3-carboxamide 1-(4-chlorophenyl)-N-[3-[ethyl(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)	3.70	11.01	-18.92	1	6	0	67	396.878	5	↓ MOL2 SDF SMILES Flexibase

55617942

Analogs

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Popular Name: N-(2-ethoxy-4-methyl-phenyl)-1-(2-fluorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide N-(2-ethoxy-4-methyl-phenyl)-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)	3.70	10.24	-22.7	1	6	0	73	381.407	5	↓ MOL2 SDF SMILES Flexibase

69896257

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)	3.34	10.33	-23.2	1	7	0	90	397.818	5	↓ MOL2 SDF SMILES Flexibase

69896268

Analogs

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Popular Name: N-(5-chloro-2-fluoro-phenyl)-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-(5-chloro-2-fluoro-phenyl)-6-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)	3.34	9.71	-17.19	1	5	0	64	357.772	3	↓ MOL2 SDF SMILES Flexibase

69896387

Analogs

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Popular Name: N-ethyl-N-(4-fluorophenyl)-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide N-ethyl-N-(4-fluorophenyl)-6-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)	3.35	11.87	-19.44	0	5	0	55	351.381	4	↓ MOL2 SDF SMILES Flexibase

67241484

Analogs

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Popular Name: 6-methyl-4-oxo-1-phenyl-N-[4-(ureidomethyl)phenyl]pyridazine-3-carboxamide 6-methyl-4-oxo-1-phenyl-N-[4-(ur…

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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	5.3	-23.65	4	8	0	119	377.404	5	↓ MOL2 SDF SMILES Flexibase

67241491

Analogs

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Popular Name: 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[4-(ureidomethyl)phenyl]pyridazine-3-carboxamide 1-(2-fluorophenyl)-6-methyl-4-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)	1.73	5.51	-25.06	4	8	0	119	395.394	5	↓ MOL2 SDF SMILES Flexibase

67245753

Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methoxy-4-oxo-pyridazine-3-carboxamide 1-(3,4-dimethoxyphenyl)-N-(4-flu…

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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)	2.55	7.12	-18.43	1	8	0	92	399.378	6	↓ MOL2 SDF SMILES Flexibase

67245770

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)	3.02	8.55	-24.92	1	8	0	100	397.362	6	↓ MOL2 SDF SMILES Flexibase

49407601

Analogs

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Popular Name: N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-6-methoxy-4-oxo-pyridazine-3-carboxamide N-(4-ethoxyphenyl)-1-(4-fluoroph…

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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)	3.12	8.12	-17.61	1	7	0	82	383.379	6	↓ MOL2 SDF SMILES Flexibase

49407607

Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-6-methoxy-N-(m-tolyl)-4-oxo-pyridazine-3-carboxamide 1-(3,4-dimethoxyphenyl)-6-methox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.81	7.72	-18.89	1	8	0	92	395.415	6	↓ MOL2 SDF SMILES Flexibase

49407621

Analogs

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Popular Name: N-(4-dimethylaminophenyl)-6-ethoxy-4-oxo-1-phenyl-pyridazine-3-carboxamide N-(4-dimethylaminophenyl)-6-etho…

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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)	3.01	9.15	-17.46	1	7	0	76	378.432	6	↓ MOL2 SDF SMILES Flexibase

49407630

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxo-pyridazine-3-carboxamide N-(2,4-dimethoxyphenyl)-1-(3-flu…

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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	6.56	-17.7	1	8	0	92	399.378	6	↓ MOL2 SDF SMILES Flexibase

49407632

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxo-pyridazine-3-carboxamide N-(3-chloro-4-methoxy-phenyl)-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)	3.54	7.76	-20.45	1	7	0	82	403.797	5	↓ MOL2 SDF SMILES Flexibase

49407635

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxo-pyridazine-3-carboxamide N-(5-chloro-2-methoxy-phenyl)-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)	3.54	7.78	-18.18	1	7	0	82	403.797	5	↓ MOL2 SDF SMILES Flexibase

49407638

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxo-pyridazine-3-carboxamide N-(3,5-dimethoxyphenyl)-1-(3-flu…

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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	6.53	-20.12	1	8	0	92	399.378	6	↓ MOL2 SDF SMILES Flexibase

49407641

Analogs

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Popular Name: 1-(3-fluorophenyl)-6-methoxy-N-(3-methylsulfanylphenyl)-4-oxo-pyridazine-3-carboxamide 1-(3-fluorophenyl)-6-methoxy-N-(…

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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)	3.29	8.94	-20.53	1	6	0	73	385.42	5	↓ MOL2 SDF SMILES Flexibase

49407644

Analogs

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Popular Name: N-(3-acetamidophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxo-pyridazine-3-carboxamide N-(3-acetamidophenyl)-1-(3-fluor…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	6.82	-23.16	2	8	0	102	396.378	5	↓ MOL2 SDF SMILES Flexibase

49407647

Analogs

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Popular Name: N-(3-fluoro-4-methoxy-phenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxo-pyridazine-3-carboxamide N-(3-fluoro-4-methoxy-phenyl)-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)	3.03	7.28	-21.95	1	7	0	82	387.342	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 11844 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

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