ZINC 12

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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)	3.42	-0.47	-16.02	0	6	0	58	422.916	4	↓ MOL2 SDF SMILES Flexibase

7451123

Analogs

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Popular Name: 5-methoxy-2-phenyl-6-(4-phenylpiperazin-1-yl)carbonyl-pyridazin-3-one 5-methoxy-2-phenyl-6-(4-phenylpi…

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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)	2.66	-0.68	-11.31	0	7	0	67	390.443	4	↓ MOL2 SDF SMILES Flexibase

9561205

Analogs

4928773

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Popular Name: 2-benzooxazol-2-yl-4-chloro-5-[4-(2,5-dimethylphenyl)piperazin-1-yl]-pyridazin-3-one 2-benzooxazol-2-yl-4-chloro-5-[4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.80	8.99	-16.48	0	7	0	67	435.915	3	↓ MOL2 SDF SMILES Flexibase

9708777

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)	2.78	0.35	-18.83	0	9	0	93	462.506	8	↓ MOL2 SDF SMILES Flexibase

10132294

Analogs

10132303

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Popular Name: 6-(2,5-dimethylphenyl)-2-(1-naphthylmethyl)pyridazin-3-one 6-(2,5-dimethylphenyl)-2-(1-naph…

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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)	5.39	2.05	-8.92	0	3	0	34	340.426	3	↓ MOL2 SDF SMILES Flexibase

44430383

Analogs

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Popular Name: N-[3-[[5-chloro-4-(1,4-diazepan-1-yl)-6-oxo-pyridazin-1-yl]methyl]-2-methyl-phenyl]-4-(6-methoxy-3-p N-[3-[[5-chloro-4-(1,4-diazepan-…

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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)	4.30	10.35	-72.07	3	9	1	106	560.078	7	↓ MOL2 SDF SMILES Flexibase

61703979

Analogs

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Popular Name: 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-2,5,6-trimethyl-pyridazin-3-one 4-[(3S)-3-hydroxypyrrolidine-1-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)	-0.88	0.83	-18.96	1	6	0	75	251.286	1	↓ MOL2 SDF SMILES Flexibase

49917812

Analogs

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Popular Name: 1-[4-[[5-chloro-4-(1,4-diazepan-1-yl)-6-oxo-pyridazin-1-yl]methyl]phenyl]-3-[3-fluoro-5-(trifluorome 1-[4-[[5-chloro-4-(1,4-diazepan-…

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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)	4.13	9.64	-61.93	4	8	1	96	539.941	6	↓ MOL2 SDF SMILES Flexibase

26707805

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)	2.92	7.07	-25.67	2	9	0	119	490.969	9	↓ MOL2 SDF SMILES Flexibase

28700479

Analogs

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Popular Name: 1-methyl-6-oxo-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide 1-methyl-6-oxo-N-[2-(1-piperidyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	7.8	-8.84	1	6	0	67	380.37	4	↓ MOL2 SDF SMILES Flexibase

32752770

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)	0.50	4.27	-11.07	0	5	0	61	196.206	2	↓ MOL2 SDF SMILES Flexibase

32955970

Analogs

26145814

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Popular Name: N-(cyclopropylmethyl)-4-methyl-2-(2,5,6-trimethyl-3-oxo-pyridazin-4-yl)thiazole-5-carboxamide N-(cyclopropylmethyl)-4-methyl-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)	2.04	5.7	-11.74	1	6	0	77	332.429	4	↓ MOL2 SDF SMILES Flexibase

45619972

Analogs

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Popular Name: N-[2-(2-furylmethylcarbamoyl)phenyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[2-(2-furylmethylcarbamoyl)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)	1.56	6.01	-12.43	2	8	0	106	380.404	7	↓ MOL2 SDF SMILES Flexibase

35503451

Analogs

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Popular Name: N-(5-chloro-2-pyridyl)-5-[1-(3,5-dimethylisoxazol-4-yl)-6-oxo-pyridazin-3-yl]-2-methyl-benzenesulfon N-(5-chloro-2-pyridyl)-5-[1-(3,5…

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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)	3.45	7.56	-58.59	0	9	-1	122	470.918	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.45	7.64	-24.52	1	9	0	120	471.926	5	↓ MOL2 SDF SMILES Flexibase

51482644

Analogs

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Popular Name: N-[3-(hydroxymethyl)phenyl]-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-[3-(hydroxymethyl)phenyl]-2-(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	4.94	-20.35	2	6	0	84	335.363	5	↓ MOL2 SDF SMILES Flexibase

46920844

Analogs

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Popular Name: N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridyl]-6-oxo-1-propyl-pyridazine-3-carboxamide N-[1-[(2-chlorophenyl)methyl]-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)	2.65	8.15	-12.93	1	7	0	86	398.85	6	↓ MOL2 SDF SMILES Flexibase

20118862

Analogs

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Popular Name: 5-(benzyl-methyl-amino)-2-[(4,6-dimethylpyrimidin-2-yl)methyl]pyridazin-3-one 5-(benzyl-methyl-amino)-2-[(4,6-…

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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)	2.00	8.02	-17.74	0	6	0	64	335.411	5	↓ MOL2 SDF SMILES Flexibase

20119127

Analogs

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Popular Name: 5-dimethylamino-2-[2-oxo-2-[(2R)-2-thiazol-2-ylpyrrolidin-1-yl]ethyl]pyridazin-3-one 5-dimethylamino-2-[2-oxo-2-[(2R)…

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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)	0.17	4.6	-24.08	0	7	0	71	333.417	4	↓ MOL2 SDF SMILES Flexibase

20119129

Analogs

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Popular Name: 5-dimethylamino-2-[2-oxo-2-[(2S)-2-thiazol-2-ylpyrrolidin-1-yl]ethyl]pyridazin-3-one 5-dimethylamino-2-[2-oxo-2-[(2S)…

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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)	0.17	4.6	-24.14	0	7	0	71	333.417	4	↓ MOL2 SDF SMILES Flexibase

20119855

Analogs

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Popular Name: 2-[2-(4-methoxyphenyl)ethyl]-5-piperazin-1-yl-pyridazin-3-one 2-[2-(4-methoxyphenyl)ethyl]-5-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)	1.33	4.36	-57.9	2	6	1	64	315.397	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.33	2.96	-11.91	1	6	0	59	314.389	5	↓ MOL2 SDF SMILES Flexibase

20120533

Analogs

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Popular Name: 4-[3-(4-carboxyphenyl)-1,4,6,9-tetraoxo-2,7-dihydropyridazino[4,5-g]phthalazin-8-yl]benzoic 4-[3-(4-carboxyphenyl)-1,4,6,9-t…

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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	4.41	-226.34	0	12	-4	196	482.364	4	↓ MOL2 SDF SMILES Flexibase

71498203

Analogs

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Popular Name: 4-[(3R)-4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepane-1-carbonyl]-2-methyl-phthalazin-1-one 4-[(3R)-4-(cyclopropylmethyl)-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)	3.07	11.18	-42.14	1	6	1	60	383.516	4	↓ MOL2 SDF SMILES Flexibase

71498206

Analogs

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Popular Name: 4-[(3S)-4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepane-1-carbonyl]-2-methyl-phthalazin-1-one 4-[(3S)-4-(cyclopropylmethyl)-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)	3.07	11.18	-41.4	1	6	1	60	383.516	4	↓ MOL2 SDF SMILES Flexibase

71499037

Analogs

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Popular Name: 2-methyl-6-[4-[(3S)-3-(pyrrolidine-1-carbonyl)-1-piperidyl]piperidine-1-carbonyl]pyridazin-3-one 2-methyl-6-[4-[(3S)-3-(pyrrolidi…

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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)	0.38	8.15	-52.27	1	8	1	80	402.519	3	↓ MOL2 SDF SMILES Flexibase

71499044

Analogs

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Popular Name: 2-methyl-6-[4-[(3R)-3-(pyrrolidine-1-carbonyl)-1-piperidyl]piperidine-1-carbonyl]pyridazin-3-one 2-methyl-6-[4-[(3R)-3-(pyrrolidi…

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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)	0.38	8.15	-51.06	1	8	1	80	402.519	3	↓ MOL2 SDF SMILES Flexibase

52836965

Analogs

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Popular Name: 2-(3-methyl-4-oxo-phthalazin-1-yl)-N-(2-quinolyl)acetamide 2-(3-methyl-4-oxo-phthalazin-1-y…

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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	8.67	-30.06	1	6	0	77	344.374	3	↓ MOL2 SDF SMILES Flexibase

52838847

Analogs

25409279
25409275

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide N-[(2R)-2-(dimethylamino)-2-(3-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)	2.42	8.14	-56.91	2	7	1	78	395.483	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.42	5.61	-22.87	1	7	0	76	394.475	7	↓ MOL2 SDF SMILES Flexibase

52838850

Analogs

25409279
25409275

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide N-[(2S)-2-(dimethylamino)-2-(3-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)	2.42	8.15	-57.6	2	7	1	78	395.483	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.42	6.09	-20.79	1	7	0	76	394.475	7	↓ MOL2 SDF SMILES Flexibase

52842558

Analogs

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Popular Name: N-methyl-N-(4-methylcyclohexyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide N-methyl-N-(4-methylcyclohexyl)-…

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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)	4.55	11.66	-8.51	0	5	0	55	369.509	6	↓ MOL2 SDF SMILES Flexibase

52843450

Analogs

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Popular Name: 3-isopropyl-N-(2-methoxyethyl)-4-oxo-N-(2-thienylmethyl)phthalazine-1-carboxamide 3-isopropyl-N-(2-methoxyethyl)-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)	2.95	9.2	-10.62	0	6	0	64	385.489	7	↓ MOL2 SDF SMILES Flexibase

52843483

Analogs

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Popular Name: 1-benzyl-N-(2-methoxyethyl)-6-oxo-N-(2-thienylmethyl)pyridazine-3-carboxamide 1-benzyl-N-(2-methoxyethyl)-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)	2.31	9.95	-11.01	0	6	0	64	383.473	8	↓ MOL2 SDF SMILES Flexibase

52843489

Analogs

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Popular Name: 3-ethyl-N-(2-methoxyethyl)-4-oxo-N-(2-thienylmethyl)phthalazine-1-carboxamide 3-ethyl-N-(2-methoxyethyl)-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)	2.58	8.69	-10.71	0	6	0	64	371.462	7	↓ MOL2 SDF SMILES Flexibase

52843506

Analogs

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Popular Name: 3-isobutyl-N-(2-methoxyethyl)-4-oxo-N-(2-thienylmethyl)phthalazine-1-carboxamide 3-isobutyl-N-(2-methoxyethyl)-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)	3.33	9.64	-11.1	0	6	0	64	399.516	8	↓ MOL2 SDF SMILES Flexibase

52843723

Analogs

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Popular Name: N-(2-methoxyethyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)-N-(2-thienylmethyl)acetamide N-(2-methoxyethyl)-2-(3-methyl-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	8.3	-23.29	0	6	0	64	371.462	7	↓ MOL2 SDF SMILES Flexibase

52843728

Analogs

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Popular Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-thienylmethyl)propanamide 3-(1,4-dioxo-3H-phthalazin-2-yl)…

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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	5.02	-53.22	0	7	-1	87	386.453	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.06	4.3	-16.53	1	7	0	85	387.461	8	↓ MOL2 SDF SMILES Flexibase

52851774

Analogs

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Popular Name: 1-benzyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)pyridazine-3-carboxamide 1-benzyl-6-oxo-N-(2-pyrrolidin-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	7.11	-47.17	2	6	1	68	327.408	6	↓ MOL2 SDF SMILES Flexibase

52852101

Analogs

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Popular Name: 2-isopropyl-4-[(2S)-4-methyl-2-phenyl-piperazine-1-carbonyl]phthalazin-1-one 2-isopropyl-4-[(2S)-4-methyl-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)	3.14	8.69	-8.67	0	6	0	58	390.487	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.14	11.07	-51.6	1	6	1	60	391.495	3	↓ MOL2 SDF SMILES Flexibase

52852103

Analogs

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Popular Name: 2-isopropyl-4-[(2R)-4-methyl-2-phenyl-piperazine-1-carbonyl]phthalazin-1-one 2-isopropyl-4-[(2R)-4-methyl-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)	3.14	8.68	-8.55	0	6	0	58	390.487	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.14	11.08	-51.68	1	6	1	60	391.495	3	↓ MOL2 SDF SMILES Flexibase

52855117

Analogs

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Popular Name: 2-isobutyl-4-(4-methylsulfonylpiperazine-1-carbonyl)phthalazin-1-one 2-isobutyl-4-(4-methylsulfonylpi…

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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	5.33	-15.28	0	8	0	93	392.481	4	↓ MOL2 SDF SMILES Flexibase

52855412

Analogs

26545162

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]phthalazin-1-one 2-methyl-4-[2-(4-methylsulfonylp…

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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)	0.28	3.59	-29.02	0	8	0	93	364.427	3	↓ MOL2 SDF SMILES Flexibase

71523943

Analogs

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Popular Name: 6-phenyl-2-[2-[2-(2-thienyl)imidazol-1-yl]ethyl]pyridazin-3-one 6-phenyl-2-[2-[2-(2-thienyl)imid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.39	10.25	-12.23	0	5	0	53	348.431	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.39	10.78	-31.09	1	5	1	54	349.439	5	↓ MOL2 SDF SMILES Flexibase

52892704

Analogs

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Popular Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide 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)	4.09	9.53	-17.55	1	5	0	64	407.779	5	↓ MOL2 SDF SMILES Flexibase

52892722

Analogs

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Popular Name: 2-[(3,5-dimethylphenyl)methyl]-6-phenyl-pyridazin-3-one 2-[(3,5-dimethylphenyl)methyl]-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)	4.23	10.43	-9.38	0	3	0	35	290.366	3	↓ MOL2 SDF SMILES Flexibase

52892755

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(2-furylmethyl)-2-(6-oxo-3-phenyl-pyridazin-1-yl)acetamide N-(2-cyanoethyl)-N-(2-furylmethy…

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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	9.33	-22.77	0	7	0	92	362.389	7	↓ MOL2 SDF SMILES Flexibase

52892797

Analogs

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Popular Name: 2-[(2-methoxy-5-methyl-phenyl)methyl]-6-phenyl-pyridazin-3-one 2-[(2-methoxy-5-methyl-phenyl)me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.84	9.2	-10.22	0	4	0	44	306.365	4	↓ MOL2 SDF SMILES Flexibase

52892864

Analogs

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Popular Name: 2-[2-(3-fluorophenoxy)ethyl]-6-phenyl-pyridazin-3-one 2-[2-(3-fluorophenoxy)ethyl]-6-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)	3.63	8.82	-10.86	0	4	0	44	310.328	5	↓ MOL2 SDF SMILES Flexibase

52892874

Analogs

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Popular Name: 2-[2-(3-nitrophenoxy)ethyl]-6-phenyl-pyridazin-3-one 2-[2-(3-nitrophenoxy)ethyl]-6-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)	3.43	9.46	-13.95	0	7	0	90	337.335	6	↓ MOL2 SDF SMILES Flexibase

52892935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-nitrophenoxy)ethyl]-6-phenyl-pyridazin-3-one 2-[2-(2-nitrophenoxy)ethyl]-6-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)	3.40	10.16	-15.9	0	7	0	90	337.335	6	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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