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ZINC Item

Suppliers, Protomers, & Similar Substances

13010193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.40	7.24	-11.89	1	7	0	90	329.356	7	↓ MOL2 SDF SMILES Flexibase

13010202

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.84	6.48	-12.24	1	7	0	90	315.329	6	↓ MOL2 SDF SMILES Flexibase

13010250

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.29	7.15	-11.94	1	7	0	90	329.356	6	↓ MOL2 SDF SMILES Flexibase

13276571

Analogs

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Popular Name: 4-[5-chloro-4-(isopropylamino)-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-(isopropylamino)-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)	3.05	5.46	-57.67	1	6	-1	87	306.729	4	↓ MOL2 SDF SMILES Flexibase

13276597

Analogs

13037347

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Popular Name: 4-[5-chloro-4-[(2-diethylamino-2-oxo-ethyl)-methyl-amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[(2-diethylamino-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.06	7.13	-59.21	0	8	-1	99	391.835	7	↓ MOL2 SDF SMILES Flexibase

13276614

Analogs

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Popular Name: 4-[4-(2-acetamidoethylamino)-5-chloro-6-oxo-pyridazin-1-yl]benzoic 4-[4-(2-acetamidoethylamino)-5-c…

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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)	0.86	3.13	-67.14	2	8	-1	116	349.754	6	↓ MOL2 SDF SMILES Flexibase

13276630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-chloro-4-[methyl-(2-oxo-2-propylamino-ethyl)amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[methyl-(2-oxo-2-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)	2.44	4.9	-59.74	1	8	-1	107	377.808	7	↓ MOL2 SDF SMILES Flexibase

13276758

Analogs

13036445

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Popular Name: 4-[5-chloro-6-oxo-4-(sec-butylamino)pyridazin-1-yl]benzoic 4-[5-chloro-6-oxo-4-(sec-butylam…

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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)	3.59	6.34	-57.63	1	6	-1	87	320.756	5	↓ MOL2 SDF SMILES Flexibase

13276759

Analogs

13036445

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-chloro-6-oxo-4-(sec-butylamino)pyridazin-1-yl]benzoic 4-[5-chloro-6-oxo-4-(sec-butylam…

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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)	3.59	6.35	-58.26	1	6	-1	87	320.756	5	↓ MOL2 SDF SMILES Flexibase

13276927

Analogs

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Popular Name: 4-[4-(tert-butylamino)-5-chloro-6-oxo-pyridazin-1-yl]benzoic 4-[4-(tert-butylamino)-5-chloro-…

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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)	2.90	5.58	-56.54	1	6	-1	87	320.756	4	↓ MOL2 SDF SMILES Flexibase

13276944

Analogs

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Popular Name: 4-(4-butylamino-5-chloro-6-oxo-pyridazin-1-yl)benzoic 4-(4-butylamino-5-chloro-6-oxo-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)	3.15	6.33	-58.17	1	6	-1	87	320.756	6	↓ MOL2 SDF SMILES Flexibase

13276959

Analogs

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Popular Name: 4-[5-chloro-4-(3-methoxypropylamino)-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-(3-methoxypropylam…

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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)	1.97	4.62	-60.33	1	7	-1	96	336.755	7	↓ MOL2 SDF SMILES Flexibase

13276985

Analogs

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Popular Name: 4-[5-chloro-4-(isopentylamino)-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-(isopentylamino)-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	6.84	-57.98	1	6	-1	87	334.783	6	↓ MOL2 SDF SMILES Flexibase

13277015

Analogs

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Popular Name: 4-[5-chloro-4-[[(1S)-1-(hydroxymethyl)propyl]amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[[(1S)-1-(hydroxym…

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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)	2.62	3.11	-60.38	2	7	-1	107	336.755	6	↓ MOL2 SDF SMILES Flexibase

13277016

Analogs

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Popular Name: 4-[5-chloro-4-[[(1R)-1-(hydroxymethyl)propyl]amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[[(1R)-1-(hydroxym…

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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)	2.62	3.1	-59.66	2	7	-1	107	336.755	6	↓ MOL2 SDF SMILES Flexibase

13277115

Analogs

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Popular Name: 4-[5-chloro-4-(3-ethoxypropylamino)-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-(3-ethoxypropylami…

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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)	2.35	5.58	-60.2	1	7	-1	96	350.782	8	↓ MOL2 SDF SMILES Flexibase

13277132

Analogs

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Popular Name: 4-(5-chloro-6-oxo-4-propylamino-pyridazin-1-yl)benzoic 4-(5-chloro-6-oxo-4-propylamino-…

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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)	2.59	5.55	-58.07	1	6	-1	87	306.729	5	↓ MOL2 SDF SMILES Flexibase

13277196

Analogs

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Popular Name: 4-[5-chloro-4-[[(1R)-2-methoxy-1-methyl-ethyl]amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[[(1R)-2-methoxy-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)	2.70	4.66	-59.03	1	7	-1	96	336.755	6	↓ MOL2 SDF SMILES Flexibase

13277197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-chloro-4-[[(1S)-2-methoxy-1-methyl-ethyl]amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[[(1S)-2-methoxy-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)	2.70	4.67	-59.83	1	7	-1	96	336.755	6	↓ MOL2 SDF SMILES Flexibase

13277260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-chloro-4-[(4-hydroxy-4-oxo-butyl)amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[(4-hydroxy-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)	1.50	5.34	-103.35	1	8	-2	127	349.73	7	↓ MOL2 SDF SMILES Flexibase

13277286

Analogs

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Popular Name: 4-[5-chloro-4-[(2-dimethylamino-2-oxo-ethyl)amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[(2-dimethylamino-…

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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)	0.62	4.33	-66.75	1	8	-1	107	349.754	5	↓ MOL2 SDF SMILES Flexibase

13277303

Analogs

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Popular Name: 4-[5-chloro-4-[(2-ethylamino-2-oxo-ethyl)amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[(2-ethylamino-2-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	3.26	-66.65	2	8	-1	116	349.754	6	↓ MOL2 SDF SMILES Flexibase

13277320

Analogs

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Popular Name: 4-[5-chloro-6-oxo-4-[(2-oxo-2-propylamino-ethyl)amino]pyridazin-1-yl]benzoic 4-[5-chloro-6-oxo-4-[(2-oxo-2-pr…

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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)	2.20	4.02	-66.55	2	8	-1	116	363.781	7	↓ MOL2 SDF SMILES Flexibase

13277541

Analogs

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Popular Name: 4-[5-chloro-4-[[2-(isopropylamino)-2-oxo-ethyl]-methyl-amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[[2-(isopropylamin…

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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)	2.24	4.95	-59.6	1	8	-1	107	377.808	6	↓ MOL2 SDF SMILES Flexibase

13277558

Analogs

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Popular Name: 4-[5-chloro-4-[[2-(isopropylamino)-2-oxo-ethyl]amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[[2-(isopropylamin…

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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)	2.00	4.07	-66.55	2	8	-1	116	363.781	6	↓ MOL2 SDF SMILES Flexibase

13277638

Analogs

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Popular Name: 4-[5-chloro-4-[[2-(2-methoxyethylamino)-2-oxo-ethyl]amino]-6-oxo-pyridazin-1-yl]benzoic 4-[5-chloro-4-[[2-(2-methoxyethy…

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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)	1.31	2.33	-66.58	2	9	-1	125	379.78	8	↓ MOL2 SDF SMILES Flexibase

62605986

Analogs

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Popular Name: 4,5-dichloro-2-(2-methoxyphenyl)pyridazin-3-one 4,5-dichloro-2-(2-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)	2.84	5.38	-10.56	0	4	0	44	271.103	2	↓ MOL2 SDF SMILES Flexibase

62605989

Analogs

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Popular Name: 4,5-dibromo-2-(2-methoxyphenyl)pyridazin-3-one 4,5-dibromo-2-(2-methoxyphenyl)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)	3.11	5.58	-10.27	0	4	0	44	360.005	2	↓ MOL2 SDF SMILES Flexibase

58554162

Analogs

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Popular Name: 4-chloro-5-(5-methoxypentylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one 4-chloro-5-(5-methoxypentylamino…

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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)	3.92	7.55	-14.64	1	5	0	56	389.805	9	↓ MOL2 SDF SMILES Flexibase

59819407

Analogs

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Popular Name: [(1S)-1-methyl-2-[2-(6-oxopyridazin-1-yl)phenoxy]ethyl] [(1S)-1-methyl-2-[2-(6-oxopyrida…

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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	7.42	-17.37	0	6	0	70	288.303	6	↓ MOL2 SDF SMILES Flexibase

59819410

Analogs

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Popular Name: [(1R)-1-methyl-2-[2-(6-oxopyridazin-1-yl)phenoxy]ethyl] [(1R)-1-methyl-2-[2-(6-oxopyrida…

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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	7.43	-17.68	0	6	0	70	288.303	6	↓ MOL2 SDF SMILES Flexibase

60119302

Analogs

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Popular Name: 2-[4-chloro-5-(2,2-dimethoxyethoxy)-2-fluoro-phenyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one 2-[4-chloro-5-(2,2-dimethoxyetho…

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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)	3.73	7.08	-11.53	0	6	0	63	410.751	7	↓ MOL2 SDF SMILES Flexibase

60119311

Analogs

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Popular Name: 2-(5-allyloxy-4-chloro-2-fluoro-phenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one 2-(5-allyloxy-4-chloro-2-fluoro-…

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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)	4.43	8.1	-7.66	0	4	0	44	362.71	5	↓ MOL2 SDF SMILES Flexibase

60119313

Analogs

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Popular Name: 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetaldehyde 2-[2-chloro-4-fluoro-5-[5-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)	3.61	6.58	-10.56	0	5	0	61	364.682	5	↓ MOL2 SDF SMILES Flexibase

60119324

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)	4.17	8.91	-12.33	0	6	0	70	420.746	7	↓ MOL2 SDF SMILES Flexibase

1385292

Analogs

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Popular Name: 4-chloro-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarbonitrile 4-chloro-6-oxo-1-phenyl-1,6-dihy…

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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	2.32	-6.11	0	4	0	59	231.642	1	↓ MOL2 SDF SMILES Flexibase

1385293

Analogs

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Popular Name: 4-chloro-1-(4-chlorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarbonitrile 4-chloro-1-(4-chlorophenyl)-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)	2.69	6.32	-5.04	0	4	0	59	266.087	1	↓ MOL2 SDF SMILES Flexibase

1385331

Analogs

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Popular Name: methyl 4-hydrazino-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate methyl 4-hydrazino-1-(4-methoxyp…

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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)	0.71	2.84	-10.08	3	8	0	108	290.279	5	↓ MOL2 SDF SMILES Flexibase

1386407

Analogs

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Popular Name: ethyl 1-(4-chlorophenyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydro-3-pyridazinecarboxylate ethyl 1-(4-chlorophenyl)-6-oxo-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)	3.36	3.97	-5.89	0	5	0	61	346.692	5	↓ MOL2 SDF SMILES Flexibase

1386420

Analogs

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Popular Name: ethyl 6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-3-pyridazinecarboxylate ethyl 6-oxo-1-phenyl-4-(trifluor…

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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)	2.68	4.12	-7.2	0	5	0	61	312.247	5	↓ MOL2 SDF SMILES Flexibase

52534151

Analogs

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Popular Name: methyl 5-cyano-4-[(E)-2-(dimethylamino)ethenyl]-1-(4-fluorophenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxylate methyl 5-cyano-4-[(E)-2-(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)	1.49	7.86	-9.43	0	7	0	88	342.33	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.49	7.35	-9.84	0	7	0	88	342.33	5	↓ MOL2 SDF SMILES Flexibase

62986687

Analogs

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Popular Name: 1-(4-methoxyphenyl)-6-oxo-pyridazine-3-carboxylic 1-(4-methoxyphenyl)-6-oxo-pyrida…

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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)	0.89	4.91	-44.23	0	6	-1	84	245.214	3	↓ MOL2 SDF SMILES Flexibase

62986726

Analogs

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Popular Name: 4,5-dibromo-2-(4-methoxyphenyl)pyridazin-3-one 4,5-dibromo-2-(4-methoxyphenyl)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.94	5.42	-8.79	0	4	0	44	360.005	2	↓ MOL2 SDF SMILES Flexibase

65335567

Analogs

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Popular Name: 4-(3-chloro-6-oxopyridazin-1(6H)-yl)benzoic acid 4-(3-chloro-6-oxopyridazin-1(6H)…

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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	5.92	-51.83	0	5	-1	75	249.633	2	↓ MOL2 SDF SMILES Flexibase

69946481

Analogs

8063758

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Popular Name: 4-chloro-5-[[(3S)-3-hydroxybutyl]amino]-2-phenyl-pyridazin-3-one 4-chloro-5-[[(3S)-3-hydroxybutyl…

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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	3.41	-14.54	2	5	0	67	293.754	5	↓ MOL2 SDF SMILES Flexibase

69946482

Analogs

8063758

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Popular Name: 4-chloro-5-[[(3R)-3-hydroxybutyl]amino]-2-phenyl-pyridazin-3-one 4-chloro-5-[[(3R)-3-hydroxybutyl…

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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	3.41	-14.49	2	5	0	67	293.754	5	↓ MOL2 SDF SMILES Flexibase

40546632

Analogs

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Popular Name: 6-methyl-3-oxo-2-phenyl-2,3-dihydropyridazine-4-carboxylic acid 6-methyl-3-oxo-2-phenyl-2,3-dihy…

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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)	1.13	7.1	-60.21	0	5	-1	75	229.215	2	↓ MOL2 SDF SMILES Flexibase

37295182

Analogs

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Popular Name: 1-(2-chlorophenyl)-6-oxo-pyridazine-3-carboxylic 1-(2-chlorophenyl)-6-oxo-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)	1.68	6.31	-47.37	0	5	-1	75	249.633	2	↓ MOL2 SDF SMILES Flexibase

37295393

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-6-oxo-pyridazine-3-carboxylic 1-(2,4-dimethylphenyl)-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)	1.87	7.25	-45.79	0	5	-1	75	243.242	2	↓ MOL2 SDF SMILES Flexibase

37295443

Analogs

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Popular Name: 4,5-dichloro-2-(2,4-dimethylphenyl)pyridazin-3-one 4,5-dichloro-2-(2,4-dimethylphen…

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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	7.57	-9.06	0	3	0	35	269.131	1	↓ MOL2 SDF SMILES Flexibase

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