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ZINC Item

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54658913

Analogs

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Popular Name: N-[(1S)-2-methyl-1-phenyl-propyl]-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-[(1S)-2-methyl-1-phenyl-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)	3.62	9.75	-16	1	5	0	64	361.445	6	↓ MOL2 SDF SMILES Flexibase

54658915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methyl-1-phenyl-propyl]-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-[(1R)-2-methyl-1-phenyl-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)	3.62	9.97	-14.74	1	5	0	64	361.445	6	↓ MOL2 SDF SMILES Flexibase

55444189

Analogs

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Popular Name: N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-ethyl-N-[(1S)-1-(4-fluoropheny…

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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)	3.66	11.38	-16.32	0	5	0	55	379.435	6	↓ MOL2 SDF SMILES Flexibase

55444190

Analogs

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Popular Name: N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-ethyl-N-[(1R)-1-(4-fluoropheny…

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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)	3.66	11.06	-17.1	0	5	0	55	379.435	6	↓ MOL2 SDF SMILES Flexibase

49543845

Analogs

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Popular Name: (2R)-2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-2-phenyl-acetic (2R)-2-[[2-[3-(3,4-dimethoxyphen…

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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)	1.39	7.86	-69.64	1	9	-1	123	422.417	8	↓ MOL2 SDF SMILES Flexibase

49543866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[2-[3-(3-methoxyphenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]methyl]benzoic 4-[[[2-[3-(3-methoxyphenyl)-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)	2.26	7.58	-62.04	1	8	-1	113	392.391	7	↓ MOL2 SDF SMILES Flexibase

49544100

Analogs

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Popular Name: (2R)-2-[[2-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-2-phenyl-acetic (2R)-2-[[2-[3-(4-fluorophenyl)-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)	1.91	8.71	-65.41	1	7	-1	104	380.355	6	↓ MOL2 SDF SMILES Flexibase

49544297

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[3-(2-chlorophenyl)-6-oxo-pyridazin-1-yl]acetamide N-[(4-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)	3.62	8.93	-16.28	1	5	0	64	388.254	5	↓ MOL2 SDF SMILES Flexibase

49544425

Analogs

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Popular Name: 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide 2-[3-(4-bromophenyl)-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)	2.77	7.54	-18.39	1	7	0	82	458.312	7	↓ MOL2 SDF SMILES Flexibase

49544462

Analogs

4968258

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Popular Name: N-benzyl-2-[3-(2-chlorophenyl)-6-oxo-pyridazin-1-yl]acetamide N-benzyl-2-[3-(2-chlorophenyl)-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)	2.94	8.41	-16.59	1	5	0	64	353.809	5	↓ MOL2 SDF SMILES Flexibase

49544581

Analogs

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Popular Name: 2-[3-(2-chlorophenyl)-6-oxo-pyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide 2-[3-(2-chlorophenyl)-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)	3.11	8.48	-16.79	1	5	0	64	371.799	5	↓ MOL2 SDF SMILES Flexibase

49544692

Analogs

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Popular Name: N-benzyl-2-[3-(2-chlorophenyl)-6-oxo-pyridazin-1-yl]-N-methyl-acetamide N-benzyl-2-[3-(2-chlorophenyl)-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)	3.19	10.47	-19.17	0	5	0	55	367.836	5	↓ MOL2 SDF SMILES Flexibase

49545065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[2-[3-(2-fluorophenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]methyl]benzoic 4-[[[2-[3-(2-fluorophenyl)-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)	2.34	8.44	-62.73	1	7	-1	104	380.355	6	↓ MOL2 SDF SMILES Flexibase

49545128

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(4-methylsulfanylphenyl)-6-oxo-pyridazin-1-yl]acetamide 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)	2.40	7.93	-19.06	1	7	0	82	425.51	8	↓ MOL2 SDF SMILES Flexibase

49545201

Analogs

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Popular Name: 4-[[[2-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]methyl]benzoic 4-[[[2-[3-(3,4-dimethoxyphenyl)-…

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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)	1.87	7.5	-63.22	1	9	-1	123	422.417	8	↓ MOL2 SDF SMILES Flexibase

49545589

Analogs

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Popular Name: (2R)-2-[[2-[3-(2-fluorophenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-2-phenyl-acetic (2R)-2-[[2-[3-(2-fluorophenyl)-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)	1.86	8.86	-71.52	1	7	-1	104	380.355	6	↓ MOL2 SDF SMILES Flexibase

49545833

Analogs

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Popular Name: 2-[3-(2-chlorophenyl)-6-oxo-pyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide 2-[3-(2-chlorophenyl)-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)	3.00	7.71	-17.58	1	6	0	73	383.835	6	↓ MOL2 SDF SMILES Flexibase

49546067

Analogs

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Popular Name: 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide 2-[3-(4-bromophenyl)-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)	3.18	7.64	-16.26	1	6	0	73	428.286	6	↓ MOL2 SDF SMILES Flexibase

49546138

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-[3-(4-methylsulfanylphenyl)-6-oxo-pyridazin-1-yl]acetamide N-[(4-methoxyphenyl)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)	2.81	8.03	-16.94	1	6	0	73	395.484	7	↓ MOL2 SDF SMILES Flexibase

49546144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide 2-[3-(4-bromophenyl)-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)	3.24	8.36	-17.18	1	5	0	64	416.25	5	↓ MOL2 SDF SMILES Flexibase

49546213

Analogs

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Popular Name: 4-[[[2-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]methyl]benzoic 4-[[[2-[3-(4-fluorophenyl)-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)	2.39	8.36	-59.72	1	7	-1	104	380.355	6	↓ MOL2 SDF SMILES Flexibase

49546229

Analogs

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Popular Name: N-benzyl-2-[3-(4-methylsulfanylphenyl)-6-oxo-pyridazin-1-yl]acetamide N-benzyl-2-[3-(4-methylsulfanylp…

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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)	2.75	8.73	-15.93	1	5	0	64	365.458	6	↓ MOL2 SDF SMILES Flexibase

49546788

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[3-(4-methylsulfanylphenyl)-6-oxo-pyridazin-1-yl]acetamide N-[(4-fluorophenyl)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)	2.91	8.8	-16.28	1	5	0	64	383.448	6	↓ MOL2 SDF SMILES Flexibase

49547539

Analogs

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Popular Name: (2R)-2-[[2-[3-(3-methoxyphenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-2-phenyl-acetic (2R)-2-[[2-[3-(3-methoxyphenyl)-…

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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)	1.78	8.01	-70.35	1	8	-1	113	392.391	7	↓ MOL2 SDF SMILES Flexibase

49547634

Analogs

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Popular Name: (2R)-2-[[2-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-2-phenyl-acetic (2R)-2-[[2-[3-(4-methoxyphenyl)-…

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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)	1.80	8	-65.99	1	8	-1	113	392.391	7	↓ MOL2 SDF SMILES Flexibase

49547958

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[3-(4-methylsulfanylphenyl)-6-oxo-pyridazin-1-yl]acetamide N-[(2-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)	3.38	9.15	-16.99	1	5	0	64	399.903	6	↓ MOL2 SDF SMILES Flexibase

49548080

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[3-(2-chlorophenyl)-6-oxo-pyridazin-1-yl]acetamide N-[(2-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)	3.58	8.83	-17.56	1	5	0	64	388.254	5	↓ MOL2 SDF SMILES Flexibase

49548675

Analogs

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Popular Name: 2-[3-(2-chlorophenyl)-6-oxo-pyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide 2-[3-(2-chlorophenyl)-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)	2.95	7.75	-18.55	1	6	0	73	383.835	6	↓ MOL2 SDF SMILES Flexibase

49548930

Analogs

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Popular Name: 4-[[[2-[3-(4-fluoro-2-methoxy-phenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]methyl]benzoic 4-[[[2-[3-(4-fluoro-2-methoxy-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)	2.37	8.01	-61.4	1	8	-1	113	410.381	7	↓ MOL2 SDF SMILES Flexibase

49549018

Analogs

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Popular Name: 4-[[[2-[3-(2-fluoro-4-methoxy-phenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]methyl]benzoic 4-[[[2-[3-(2-fluoro-4-methoxy-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)	2.37	7.75	-63.86	1	8	-1	113	410.381	7	↓ MOL2 SDF SMILES Flexibase

49549222

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[3-(4-methylsulfanylphenyl)-6-oxo-pyridazin-1-yl]acetamide N-[(4-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)	3.43	9.25	-15.79	1	5	0	64	399.903	6	↓ MOL2 SDF SMILES Flexibase

49549224

Analogs

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Popular Name: (2R)-2-[[2-[3-(2-fluoro-4-methoxy-phenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-2-phenyl-acetic (2R)-2-[[2-[3-(2-fluoro-4-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)	1.89	8.1	-73.15	1	8	-1	113	410.381	7	↓ MOL2 SDF SMILES Flexibase

49549237

Analogs

40285473

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]acetamide 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)	2.02	6.21	-19.79	1	8	0	92	409.442	8	↓ MOL2 SDF SMILES Flexibase

49549310

Analogs

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Popular Name: N-benzyl-2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-methyl-acetamide N-benzyl-2-[3-(4-bromophenyl)-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)	3.37	10.41	-17.72	0	5	0	55	412.287	5	↓ MOL2 SDF SMILES Flexibase

49549525

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-2-[3-(4-methylsulfanylphenyl)-6-oxo-pyridazin-1-yl]acetamide N-[(2-methoxyphenyl)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)	2.76	8.07	-17.77	1	6	0	73	395.484	7	↓ MOL2 SDF SMILES Flexibase

49549768

Analogs

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Popular Name: 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide 2-[3-(4-bromophenyl)-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)	3.78	8.85	-15.14	1	5	0	64	432.705	5	↓ MOL2 SDF SMILES Flexibase

49550025

Analogs

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Popular Name: 4-[[[2-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]methyl]benzoic 4-[[[2-[3-(4-methoxyphenyl)-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)	2.28	7.58	-60.17	1	8	-1	113	392.391	7	↓ MOL2 SDF SMILES Flexibase

49550452

Analogs

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Popular Name: (2R)-2-[[2-[3-(4-fluoro-2-methoxy-phenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]-2-phenyl-acetic (2R)-2-[[2-[3-(4-fluoro-2-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)	1.89	8.44	-67.23	1	8	-1	113	410.381	7	↓ MOL2 SDF SMILES Flexibase

49550528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide 2-[3-(4-bromophenyl)-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)	3.26	8.41	-15.64	1	5	0	64	416.25	5	↓ 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

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 = 49969 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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