ZINC 12

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)	1.14	4.51	-10.85	1	6	0	86	290.71	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.33	2.81	-32.95	0	6	-1	92	289.702	2	↓ MOL2 SDF SMILES Flexibase

36163648

Analogs

37791510
35127289

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2,6-dimethyl-phenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-(4-bromo-2,6-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)	1.16	4.55	-8.1	2	5	0	71	324.178	2	↓ MOL2 SDF SMILES Flexibase

36164442

Analogs

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Popular Name: N-(2-cyano-3-fluoro-phenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-(2-cyano-3-fluoro-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)	0.36	2.55	-10.88	2	6	0	94	260.228	2	↓ MOL2 SDF SMILES Flexibase

36164681

Analogs

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Popular Name: N-(2-cyanoethyl)-6-oxo-N-phenyl-4,5-dihydro-1H-pyridazine-3-carboxamide N-(2-cyanoethyl)-6-oxo-N-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)	0.24	5.21	-11.45	1	6	0	86	270.292	4	↓ MOL2 SDF SMILES Flexibase

36165955

Analogs

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Popular Name: 6-oxo-N-(2,4,6-tribromophenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide 6-oxo-N-(2,4,6-tribromophenyl)-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)	2.82	4.39	-7.15	2	5	0	71	453.916	2	↓ MOL2 SDF SMILES Flexibase

36165968

Analogs

35127583

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Popular Name: 6-oxo-N-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide 6-oxo-N-(2,4,6-trichlorophenyl)-…

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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)	2.43	3.98	-7.34	2	5	0	71	320.563	2	↓ MOL2 SDF SMILES Flexibase

36166004

Analogs

35127677

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Popular Name: N-(4-bromo-2,6-dichloro-phenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-(4-bromo-2,6-dichloro-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	4.09	-7.27	2	5	0	71	365.014	2	↓ MOL2 SDF SMILES Flexibase

36166030

Analogs

37791506

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Popular Name: N-(3-fluoro-4-methoxy-phenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-(3-fluoro-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)	0.68	1.45	-12.61	2	6	0	80	265.244	3	↓ MOL2 SDF SMILES Flexibase

36166054

Analogs

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Popular Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-[2-chloro-6-(trifluoromethyl)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)	2.01	4.02	-9.78	2	5	0	71	319.67	3	↓ MOL2 SDF SMILES Flexibase

36166260

Analogs

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Popular Name: N-(5-bromo-2-fluoro-phenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-(5-bromo-2-fluoro-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)	1.44	2.81	-7.66	2	5	0	71	314.114	2	↓ MOL2 SDF SMILES Flexibase

12039904

Analogs

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Popular Name: 1-methyl-N-(4-methylsulfanylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide 1-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)	1.21	-0.8	-9.54	1	5	0	62	277.349	3	↓ MOL2 SDF SMILES Flexibase

13008072

Analogs

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Popular Name: N-(3,4-difluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide N-(3,4-difluorophenyl)-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)	1.04	3.83	-11.41	1	5	0	62	267.235	2	↓ MOL2 SDF SMILES Flexibase

13008261

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide N-[4-chloro-3-(trifluoromethyl)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)	2.28	5.12	-8.83	1	5	0	62	333.697	3	↓ MOL2 SDF SMILES Flexibase

13009556

Analogs

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Popular Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide N-(4-chloro-2,5-dimethoxy-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)	1.43	2.95	-9.55	1	7	0	80	325.752	4	↓ MOL2 SDF SMILES Flexibase

13010265

Analogs

6363952

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide N-(2-methoxy-5-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)	1.21	3.77	-9.26	1	6	0	71	275.308	3	↓ MOL2 SDF SMILES Flexibase

22705225

Analogs

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Popular Name: N-(2-methoxyphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide N-(2-methoxyphenyl)-1-methyl-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)	0.79	3.16	-9.24	1	6	0	71	261.281	3	↓ MOL2 SDF SMILES Flexibase

36971100

Analogs

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Popular Name: 4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic 4-[(1-methyl-6-oxo-4,5-dihydropy…

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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)	0.69	4.25	-52.43	1	7	-1	102	274.256	3	↓ MOL2 SDF SMILES Flexibase

36972917

Analogs

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Popular Name: 4-chloro-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic 4-chloro-2-[(1-methyl-6-oxo-4,5-…

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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)	1.48	5.16	-43.05	1	7	-1	102	308.701	3	↓ MOL2 SDF SMILES Flexibase

36977877

Analogs

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Popular Name: 5-chloro-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic 5-chloro-2-[(6-oxo-4,5-dihydro-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)	1.23	3.47	-43.87	2	7	-1	111	294.674	3	↓ MOL2 SDF SMILES Flexibase

36977956

Analogs

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Popular Name: 3-methyl-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic 3-methyl-2-[(1-methyl-6-oxo-4,5-…

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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)	0.29	5.36	-50.6	1	7	-1	102	288.283	3	↓ MOL2 SDF SMILES Flexibase

36977962

Analogs

44757815
32973849
27448650

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Popular Name: 3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic 3-methyl-2-[(6-oxo-4,5-dihydro-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)	0.04	3.75	-50.43	2	7	-1	111	274.256	3	↓ MOL2 SDF SMILES Flexibase

36978154

Analogs

157341

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Popular Name: 3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic 3-[(6-oxo-4,5-dihydro-1H-pyridaz…

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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)	0.42	2.65	-58.25	2	7	-1	111	260.229	3	↓ MOL2 SDF SMILES Flexibase

54828049

Analogs

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Popular Name: N-(3-bromo-5-chloro-2-ethoxy-phenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide N-(3-bromo-5-chloro-2-ethoxy-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)	2.56	5.34	-7.18	1	6	0	71	388.649	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.74	3.6	-38.17	0	6	-1	77	387.641	4	↓ MOL2 SDF SMILES Flexibase

58323853

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)	1.37	5.43	-12.15	1	7	0	88	317.345	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.55	3.73	-43.34	0	7	-1	94	316.337	4	↓ MOL2 SDF SMILES Flexibase

14016056

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide N-(3-chloro-4-methyl-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)	1.84	4.8	-9.64	1	5	0	62	279.727	2	↓ MOL2 SDF SMILES Flexibase

62667393

Analogs

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Popular Name: N-[2-fluoro-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-[2-fluoro-5-(trifluoromethyl)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	3.2	-8.34	2	5	0	71	303.215	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.71	1.55	-37.85	1	5	-1	77	302.207	3	↓ MOL2 SDF SMILES Flexibase

62824094

Analogs

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Popular Name: 5-iodo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic 5-iodo-2-[(6-oxo-4,5-dihydro-1H-…

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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)	1.64	4.06	-43.83	2	7	-1	111	386.125	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.82	2.64	-108.1	1	7	-2	117	385.117	3	↓ MOL2 SDF SMILES Flexibase

62824106

Analogs

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Popular Name: 5-iodo-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic 5-iodo-2-[(1-methyl-6-oxo-4,5-di…

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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)	1.88	5.73	-44.13	1	7	-1	102	400.152	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	4.23	-109.73	0	7	-2	108	399.144	3	↓ MOL2 SDF SMILES Flexibase

62825135

Analogs

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Popular Name: 3,5-dibromo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic 3,5-dibromo-2-[(6-oxo-4,5-dihydr…

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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)	2.10	4.22	-41.93	2	7	-1	111	418.021	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.29	2.7	-110.97	1	7	-2	117	417.013	3	↓ MOL2 SDF SMILES Flexibase

62825754

Analogs

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Popular Name: 3,5-dimethyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic 3,5-dimethyl-2-[(6-oxo-4,5-dihyd…

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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)	0.44	4.51	-50.34	2	7	-1	111	288.283	3	↓ MOL2 SDF SMILES Flexibase

62826478

Analogs

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Popular Name: 3-bromo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic 3-bromo-2-[(6-oxo-4,5-dihydro-1H…

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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)	1.34	3.82	-47.38	2	7	-1	111	339.125	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.53	2.08	-116.43	1	7	-2	117	338.117	3	↓ MOL2 SDF SMILES Flexibase

62826495

Analogs

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Popular Name: 3-bromo-2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic 3-bromo-2-[(1-methyl-6-oxo-4,5-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)	1.58	5.34	-46.72	1	7	-1	102	353.152	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.77	3.69	-118.99	0	7	-2	108	352.144	3	↓ MOL2 SDF SMILES Flexibase

63009016

Analogs

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Popular Name: 3-fluoro-4-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic 3-fluoro-4-[(6-oxo-4,5-dihydro-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)	0.54	2.74	-47.46	2	7	-1	111	278.219	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.72	1.11	-95.68	1	7	-2	117	277.211	3	↓ MOL2 SDF SMILES Flexibase

63009033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic 3-fluoro-4-[(1-methyl-6-oxo-4,5-…

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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)	0.78	4.36	-47.48	1	7	-1	102	292.246	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.97	2.62	-97.15	0	7	-2	108	291.238	3	↓ MOL2 SDF SMILES Flexibase

69517534

Analogs

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Popular Name: N-(2-isopropylsulfonylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-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)	0.78	3.4	-12.77	1	7	0	96	337.401	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.97	1.66	-47.05	0	7	-1	102	336.393	4	↓ MOL2 SDF SMILES Flexibase

55073905

Analogs

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Popular Name: N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-[3-methoxy-4-(3-methylbutanoyl…

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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	2.56	-12.16	3	8	0	109	346.387	6	↓ MOL2 SDF SMILES Flexibase

67171645

Analogs

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Popular Name: N-[4-chloro-2-(ethylcarbamoyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide N-[4-chloro-2-(ethylcarbamoyl)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)	0.96	3.79	-10.35	2	7	0	91	336.779	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.14	2.27	-44.41	1	7	-1	97	335.771	4	↓ MOL2 SDF SMILES Flexibase

40444633

Analogs

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Popular Name: N-(4-carbamoyl-2-methyl-phenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-(4-carbamoyl-2-methyl-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)	-0.27	-0.22	-13.37	4	7	0	114	274.28	3	↓ MOL2 SDF SMILES Flexibase

40445194

Analogs

9377999

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Popular Name: 6-oxo-N-[4-(propanoylamino)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide 6-oxo-N-[4-(propanoylamino)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)	0.59	1.81	-13.36	3	7	0	100	288.307	4	↓ MOL2 SDF SMILES Flexibase

40445260

Analogs

7408392

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Popular Name: N-[4-(ethylcarbamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-[4-(ethylcarbamoyl)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)	0.11	1.2	-13.12	3	7	0	100	288.307	4	↓ MOL2 SDF SMILES Flexibase

40445332

Analogs

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Popular Name: N-(3-ethoxy-4-methoxy-phenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-(3-ethoxy-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)	0.56	2.21	-11.13	2	7	0	89	291.307	5	↓ MOL2 SDF SMILES Flexibase

40445334

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)	0.24	0.31	-13.77	3	8	0	109	290.279	4	↓ MOL2 SDF SMILES Flexibase

40447546

Analogs

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Popular Name: N-(4-ethyl-3-nitro-phenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide N-(4-ethyl-3-nitro-phenyl)-6-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)	1.34	3.95	-15.2	2	8	0	116	290.279	4	↓ MOL2 SDF SMILES Flexibase

48944986

Analogs

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Popular Name: N-(3,4-difluorophenyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-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)	1.28	5.44	-9.18	0	5	0	53	281.262	2	↓ MOL2 SDF SMILES Flexibase

49305266

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-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)	1.83	7.15	-7.74	0	5	0	53	273.336	2	↓ MOL2 SDF SMILES Flexibase

49317874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-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)	1.85	7.21	-7.57	0	5	0	53	273.336	2	↓ MOL2 SDF SMILES Flexibase

49317963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-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)	1.85	6.63	-9	0	5	0	53	273.336	2	↓ MOL2 SDF SMILES Flexibase

49319091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methylsulfanyl-phenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-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)	1.82	5.37	-8.9	1	5	0	62	311.794	3	↓ MOL2 SDF SMILES Flexibase

49345906

Analogs

37791510
37791532
37791536
37791625

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxy-4-methyl-phenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide N-(2-methoxy-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)	1.21	3.78	-9.08	1	6	0	71	275.308	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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