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ZINC Item

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22702316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-6-oxo-pyridazine-3-carboxamide 1-(2-methoxyethyl)-N-[4-methyl-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)	0.31	0.78	-19.88	2	9	0	119	380.426	7	↓ MOL2 SDF SMILES Flexibase

13009589

Analogs

12867054

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-tert-butylphenyl)-1-methyl-6-oxo-pyridazine-3-carboxamide N-(2-tert-butylphenyl)-1-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)	2.54	6.44	-8.41	1	5	0	64	285.347	3	↓ MOL2 SDF SMILES Flexibase

22738457

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-1-(2-methoxyethyl)-6-oxo-pyridazine-3-carboxamide N-(5-chloro-2-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)	1.92	4.92	-10.88	1	6	0	73	321.764	5	↓ MOL2 SDF SMILES Flexibase

22744589

Analogs

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Popular Name: N-(3-iodo-4-methyl-phenyl)-1-(2-methoxyethyl)-6-oxo-pyridazine-3-carboxamide N-(3-iodo-4-methyl-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)	2.33	5.32	-10.91	1	6	0	73	413.215	5	↓ MOL2 SDF SMILES Flexibase

22746165

Analogs

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Popular Name: 1-(2-methoxyethyl)-6-oxo-N-(4-pentylphenyl)pyridazine-3-carboxamide 1-(2-methoxyethyl)-6-oxo-N-(4-pe…

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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)	3.24	7.38	-9.77	1	6	0	73	343.427	9	↓ MOL2 SDF SMILES Flexibase

36875755

Analogs

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Popular Name: N-(2-fluoro-4-methyl-phenyl)-6-oxo-1-propyl-pyridazine-3-carboxamide N-(2-fluoro-4-methyl-phenyl)-6-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)	2.30	6.06	-7.91	1	5	0	64	289.31	4	↓ MOL2 SDF SMILES Flexibase

36971033

Analogs

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Popular Name: 2-hydroxy-5-[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]benzoic 2-hydroxy-5-[(1-methyl-6-oxo-pyr…

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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)	0.79	2.24	-51.43	2	8	-1	124	288.239	3	↓ MOL2 SDF SMILES Flexibase

36978820

Analogs

9452117
11780785

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]benzoic 5-methyl-2-[(1-methyl-6-oxo-pyri…

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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)	1.35	5.16	-47.65	1	7	-1	104	286.267	3	↓ MOL2 SDF SMILES Flexibase

23019343

Analogs

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Popular Name: 1-butyl-N-(4-methanesulfonamidophenyl)-6-oxo-pyridazine-3-carboxamide 1-butyl-N-(4-methanesulfonamidop…

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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)	1.55	2.81	-19.34	2	8	0	110	364.427	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.55	2.89	-44.26	1	8	-1	112	363.419	7	↓ MOL2 SDF SMILES Flexibase

23041495

Analogs

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Popular Name: 6-oxo-1-propyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridazine-3-carboxamide 6-oxo-1-propyl-N-[4-(2,2,2-trifl…

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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	6	-13.27	1	6	0	73	355.316	7	↓ MOL2 SDF SMILES Flexibase

23043587

Analogs

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Popular Name: N-(3-ethylphenyl)-6-oxo-1-propyl-pyridazine-3-carboxamide N-(3-ethylphenyl)-6-oxo-1-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)	2.65	6.73	-9.43	1	5	0	64	285.347	5	↓ MOL2 SDF SMILES Flexibase

24988883

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-6-oxo-1-propyl-pyridazine-3-carboxamide N-(4-fluoro-2-methyl-phenyl)-6-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)	2.30	6.16	-10.21	1	5	0	64	289.31	4	↓ MOL2 SDF SMILES Flexibase

58343737

Analogs

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Popular Name: N-(2-hydroxy-4-methyl-phenyl)-1-(2-methoxyethyl)-6-oxo-pyridazine-3-carboxamide N-(2-hydroxy-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)	1.02	1.57	-9.6	2	7	0	93	303.318	5	↓ MOL2 SDF SMILES Flexibase

60514640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxy-2-nitro-phenyl)-1-methyl-6-oxo-pyridazine-3-carboxamide N-(4-methoxy-2-nitro-phenyl)-1-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)	0.82	4	-10.73	1	9	0	119	304.262	4	↓ MOL2 SDF SMILES Flexibase

60514693

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxy-2-nitro-phenyl)-6-oxo-1-propyl-pyridazine-3-carboxamide N-(4-methoxy-2-nitro-phenyl)-6-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)	1.70	5.64	-10.28	1	9	0	119	332.316	6	↓ MOL2 SDF SMILES Flexibase

539730

Analogs

534267

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Popular Name: N-[4-(diethylamino)phenyl]-6-keto-1H-pyridazine-3-carboxamide N-[4-(diethylamino)phenyl]-6-ket…

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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)	2.12	2.56	-59.89	2	6	0	82	286.335	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.12	2.46	-42.16	1	6	-1	81	285.327	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.67	4.37	-71.49	3	6	0	79	287.343	5	↓ MOL2 SDF SMILES Flexibase

540019

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-6-keto-1H-pyridazine-3-carboxamide N-(3-chloro-4-methoxy-phenyl)-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)	1.93	0.01	-42.42	1	6	-1	87	278.675	3	↓ MOL2 SDF SMILES Flexibase

14227925

Analogs

543458

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Popular Name: N-(2-bromo-4-methyl-phenyl)-6-oxo-1-propyl-pyridazine-3-carboxamide N-(2-bromo-4-methyl-phenyl)-6-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)	2.95	6.71	-7.41	1	5	0	64	350.216	4	↓ MOL2 SDF SMILES Flexibase

14242013

Analogs

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Popular Name: 6-oxo-N-(4-pentylphenyl)-1H-pyridazine-3-carboxamide 6-oxo-N-(4-pentylphenyl)-1H-pyri…

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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	5.8	-8.41	2	5	0	75	285.347	6	↓ MOL2 SDF SMILES Flexibase

14244339

Analogs

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Popular Name: N-(4-chloro-2-methyl-phenyl)-6-oxo-1-propyl-pyridazine-3-carboxamide N-(4-chloro-2-methyl-phenyl)-6-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)	2.81	6.64	-8.43	1	5	0	64	305.765	4	↓ MOL2 SDF SMILES Flexibase

14244910

Analogs

7007389

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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)	2.31	6.78	-14.84	1	7	0	90	329.356	6	↓ MOL2 SDF SMILES Flexibase

14245622

Analogs

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Popular Name: N-[4-(cyanomethyl)phenyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[4-(cyanomethyl)phenyl]-1-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)	0.85	4.78	-15.52	1	6	0	88	268.276	3	↓ MOL2 SDF SMILES Flexibase

14247798

Analogs

2620315

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Popular Name: N-[4-(butyl-methyl-sulfamoyl)phenyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[4-(butyl-methyl-sulfamoyl)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)	1.63	3.98	-14.99	1	8	0	101	378.454	7	↓ MOL2 SDF SMILES Flexibase

14249078

Analogs

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Popular Name: 1-methyl-N-(2-methyl-3-nitro-phenyl)-6-oxo-pyridazine-3-carboxamide 1-methyl-N-(2-methyl-3-nitro-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)	1.19	4.98	-11	1	8	0	110	288.263	3	↓ MOL2 SDF SMILES Flexibase

3403186

Analogs

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Popular Name: 1-butyl-6-keto-N-o-cumenyl-pyridazine-3-carboxamide 1-butyl-6-keto-N-o-cumenyl-pyrid…

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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	1.12	-8.29	1	5	0	63	313.401	6	↓ MOL2 SDF SMILES Flexibase

62826438

Analogs

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Popular Name: 3-bromo-2-[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]benzoic 3-bromo-2-[(1-methyl-6-oxo-pyrid…

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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	5.27	-46.17	1	7	-1	104	351.136	3	↓ MOL2 SDF SMILES Flexibase

69247387

Analogs

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Popular Name: N-[5-chloro-2-(dimethylamino)phenyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[5-chloro-2-(dimethylamino)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)	1.59	5.35	-8.73	1	6	0	67	306.753	3	↓ MOL2 SDF SMILES Flexibase

69247502

Analogs

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Popular Name: N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[5-chloro-2-(dimethylamino)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)	2.47	7	-8.23	1	6	0	67	334.807	5	↓ MOL2 SDF SMILES Flexibase

69247623

Analogs

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Popular Name: 1-butyl-N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-pyridazine-3-carboxamide 1-butyl-N-[5-chloro-2-(dimethyla…

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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	7.78	-8.23	1	6	0	67	348.834	6	↓ MOL2 SDF SMILES Flexibase

63008976

Analogs

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Popular Name: 3-fluoro-4-[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]benzoic 3-fluoro-4-[(1-methyl-6-oxo-pyri…

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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	4.3	-47.76	1	7	-1	104	290.23	3	↓ MOL2 SDF SMILES Flexibase

65491907

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)	2.26	4.85	-11.42	2	8	0	111	345.355	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.26	5.85	-46.84	1	8	-1	113	344.347	7	↓ MOL2 SDF SMILES Flexibase

69693397

Analogs

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Popular Name: N-(5-chloro-2-hydroxy-phenyl)-1-methyl-6-oxo-pyridazine-3-carboxamide N-(5-chloro-2-hydroxy-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)	1.27	1.41	-9.88	2	6	0	84	279.683	2	↓ MOL2 SDF SMILES Flexibase

65500813

Analogs

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Popular Name: N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[3-chloro-2-(difluoromethylsul…

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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	5.72	-10.18	1	5	0	64	345.758	4	↓ MOL2 SDF SMILES Flexibase

65530813

Analogs

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Popular Name: N-(2-isopropylsulfonylphenyl)-1-methyl-6-oxo-pyridazine-3-carboxamide N-(2-isopropylsulfonylphenyl)-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)	0.88	3.33	-12.55	1	7	0	98	335.385	4	↓ MOL2 SDF SMILES Flexibase

55568203

Analogs

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Popular Name: 1-butyl-N-[3-(3-cyanopropoxy)phenyl]-6-oxo-pyridazine-3-carboxamide 1-butyl-N-[3-(3-cyanopropoxy)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)	2.08	7.6	-18.11	1	7	0	97	354.41	9	↓ MOL2 SDF SMILES Flexibase

55591017

Analogs

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Popular Name: 1-butyl-N-[5-chloro-2-(propylcarbamoyl)phenyl]-6-oxo-pyridazine-3-carboxamide 1-butyl-N-[5-chloro-2-(propylcar…

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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	6.94	-11.66	2	7	0	93	390.871	8	↓ MOL2 SDF SMILES Flexibase

55616591

Analogs

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Popular Name: N-(2-ethoxy-4-methyl-phenyl)-6-oxo-1-propyl-pyridazine-3-carboxamide N-(2-ethoxy-4-methyl-phenyl)-6-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)	2.57	6.29	-8.81	1	6	0	73	315.373	6	↓ MOL2 SDF SMILES Flexibase

55616700

Analogs

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Popular Name: 1-butyl-N-(2-ethoxy-4-methyl-phenyl)-6-oxo-pyridazine-3-carboxamide 1-butyl-N-(2-ethoxy-4-methyl-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)	3.13	7.07	-8.78	1	6	0	73	329.4	7	↓ MOL2 SDF SMILES Flexibase

66960902

Analogs

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Popular Name: N-(2,4-difluoro-5-nitro-phenyl)-1-methyl-6-oxo-pyridazine-3-carboxamide N-(2,4-difluoro-5-nitro-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)	1.02	4.47	-12.04	1	8	0	110	310.216	3	↓ MOL2 SDF SMILES Flexibase

55619445

Analogs

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Popular Name: 1-butyl-N-(4-methyl-2-propoxy-phenyl)-6-oxo-pyridazine-3-carboxamide 1-butyl-N-(4-methyl-2-propoxy-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)	3.63	7.87	-8.49	1	6	0	73	343.427	8	↓ MOL2 SDF SMILES Flexibase

65569555

Analogs

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Popular Name: N-[3-[[(2R)-2-ethylhexoxy]methyl]phenyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[3-[[(2R)-2-ethylhexoxy]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)	4.00	9.05	-9.47	1	6	0	73	371.481	10	↓ MOL2 SDF SMILES Flexibase

69744742

Analogs

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Popular Name: 1-butyl-N-[2-(dimethylaminomethyl)-4-methyl-phenyl]-6-oxo-pyridazine-3-carboxamide 1-butyl-N-[2-(dimethylaminomethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	9.3	-46.74	2	6	1	68	343.451	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.50	6.81	-8.4	1	6	0	67	342.443	7	↓ MOL2 SDF SMILES Flexibase

56173160

Analogs

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Popular Name: N-[2-(tert-butylcarbamoyl)phenyl]-1-methyl-6-oxo-pyridazine-3-carboxamide N-[2-(tert-butylcarbamoyl)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)	1.21	4.58	-11.96	2	7	0	93	328.372	4	↓ MOL2 SDF SMILES Flexibase

69873598

Analogs

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Popular Name: N-(3-ethynylphenyl)-N-isopropyl-1-methyl-6-oxo-pyridazine-3-carboxamide N-(3-ethynylphenyl)-N-isopropyl-…

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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)	1.54	7.45	-12.32	0	5	0	55	295.342	3	↓ MOL2 SDF SMILES Flexibase

70331297

Analogs

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Popular Name: N-[4-(hydroxymethyl)phenyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[4-(hydroxymethyl)phenyl]-6-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)	1.10	2.61	-11.01	2	6	0	84	287.319	5	↓ MOL2 SDF SMILES Flexibase

48974073

Analogs

23300072

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Popular Name: N-(3,4-difluorophenyl)-N,1-dimethyl-6-oxo-pyridazine-3-carboxamide N-(3,4-difluorophenyl)-N,1-dimet…

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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)	1.38	5.38	-9.89	0	5	0	55	279.246	2	↓ MOL2 SDF SMILES Flexibase

49305143

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-N,1-dimethyl-6-oxo-pyridazine-3-carboxamide N-(2,3-dimethylphenyl)-N,1-dimet…

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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)	1.93	7.05	-8.26	0	5	0	55	271.32	2	↓ MOL2 SDF SMILES Flexibase

49317896

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-N,1-dimethyl-6-oxo-pyridazine-3-carboxamide N-(2,5-dimethylphenyl)-N,1-dimet…

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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)	1.95	7.13	-8.1	0	5	0	55	271.32	2	↓ MOL2 SDF SMILES Flexibase

49317979

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-N,1-dimethyl-6-oxo-pyridazine-3-carboxamide N-(3,5-dimethylphenyl)-N,1-dimet…

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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)	1.95	6.57	-9.77	0	5	0	55	271.32	2	↓ MOL2 SDF SMILES Flexibase

49319106

Analogs

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Popular Name: N-(5-chloro-2-methylsulfanyl-phenyl)-1-methyl-6-oxo-pyridazine-3-carboxamide N-(5-chloro-2-methylsulfanyl-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)	1.92	5.3	-9.39	1	5	0	64	309.778	3	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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