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ZINC Item

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52943762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(2-methoxy-5-methyl-phenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(2-methoxy-5-methyl-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)	3.61	7.63	-13.85	0	5	0	52	274.711	2	↓ MOL2 SDF SMILES Flexibase

53548875

Analogs

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Popular Name: N-(3-butoxypropyl)-3-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-6-amine N-(3-butoxypropyl)-3-phenyl-[1,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	10	-14.89	1	6	0	64	325.416	9	↓ MOL2 SDF SMILES Flexibase

53574800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3-[(3-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)amino]propanamide N,N-diethyl-3-[(3-phenyl-[1,2,4]…

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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)	2.73	9.79	-22.55	1	7	0	75	338.415	7	↓ MOL2 SDF SMILES Flexibase

53576802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)amino]-N-propyl-propanamide 3-[(3-phenyl-[1,2,4]triazolo[3,4…

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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)	2.61	7.52	-22.78	2	7	0	84	324.388	7	↓ MOL2 SDF SMILES Flexibase

61448703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}benzoic acid 2-{6-methyl-[1,2,4]triazolo[4,3-…

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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)	1.73	7.63	-72.16	0	6	-1	83	253.241	2	↓ MOL2 SDF SMILES Flexibase

62666518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(5-fluoro-2-methyl-phenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(5-fluoro-2-methyl-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)	3.71	8.31	-10.43	0	4	0	43	262.675	1	↓ MOL2 SDF SMILES Flexibase

62823662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methyl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)-5-nitro-aniline 2-(6-methyl-[1,2,4]triazolo[3,4-…

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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)	1.58	6.11	-14.19	2	8	0	115	270.252	2	↓ MOL2 SDF SMILES Flexibase

62824284

Analogs

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Popular Name: 4-iodo-2-(6-methyl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)aniline 4-iodo-2-(6-methyl-[1,2,4]triazo…

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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	6.43	-13	2	5	0	69	351.151	1	↓ MOL2 SDF SMILES Flexibase

62825215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dibromo-6-(6-methyl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)aniline 2,4-dibromo-6-(6-methyl-[1,2,4]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)	3.16	6.66	-11.26	2	5	0	69	383.047	1	↓ MOL2 SDF SMILES Flexibase

62825865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-6-(6-methyl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)aniline 2,4-dimethyl-6-(6-methyl-[1,2,4]…

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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)	2.44	6.77	-14.42	2	5	0	69	253.309	1	↓ MOL2 SDF SMILES Flexibase

62826676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-6-(6-methyl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)aniline 2-bromo-6-(6-methyl-[1,2,4]triaz…

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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	6.05	-13.07	2	5	0	69	304.151	1	↓ MOL2 SDF SMILES Flexibase

63008010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(3,4,5-trifluoropheny…

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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)	3.52	7.53	-8.5	0	4	0	43	284.628	1	↓ MOL2 SDF SMILES Flexibase

63009973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-4-(6-methyl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)aniline 2-fluoro-4-(6-methyl-[1,2,4]tria…

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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	5.52	-15.65	2	5	0	69	243.245	1	↓ MOL2 SDF SMILES Flexibase

65576931

Analogs

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Popular Name: N-[2-[(3-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)amino]ethyl]ethanesulfonamide N-[2-[(3-phenyl-[1,2,4]triazolo[…

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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	4.65	-25.09	2	8	0	101	346.416	7	↓ MOL2 SDF SMILES Flexibase

37288153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-bromo-2-chloro-phenyl)-6-chloro-[1,2,4]triazolo[3,4-f]pyridazine 3-(5-bromo-2-chloro-phenyl)-6-ch…

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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)	4.59	8.65	-10.43	0	4	0	43	343.999	1	↓ MOL2 SDF SMILES Flexibase

37325097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-[3-(difluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-[3-(difluoromethoxy)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)	3.76	6.94	-12.74	0	5	0	52	296.664	3	↓ MOL2 SDF SMILES Flexibase

37325101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(2,3-dimethylphenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(2,3-dimethylphenyl)-…

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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)	3.98	8.79	-10.65	0	4	0	43	258.712	1	↓ MOL2 SDF SMILES Flexibase

37325102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(2-ethoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazine 6-chloro-3-(2-ethoxyphenyl)[1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	7.89	-13.78	0	5	0	52	274.711	3	↓ MOL2 SDF SMILES Flexibase

37325104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(2,4-dimethylphenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(2,4-dimethylphenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.00	8.9	-10.47	0	4	0	43	258.712	1	↓ MOL2 SDF SMILES Flexibase

37325105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-5-fluoro-phenyl)-6-chloro-[1,2,4]triazolo[3,4-f]pyridazine 3-(2-bromo-5-fluoro-phenyl)-6-ch…

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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)	4.07	8.26	-10.56	0	4	0	43	327.544	1	↓ MOL2 SDF SMILES Flexibase

37325106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-tert-butylphenyl)-6-chloro-[1,2,4]triazolo[3,4-f]pyridazine 3-(4-tert-butylphenyl)-6-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)	4.88	9.68	-10.22	0	4	0	43	286.766	2	↓ MOL2 SDF SMILES Flexibase

37325107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine 6-chloro-3-(3,5-dichlorophenyl)-…

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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)	4.46	8.36	-8.56	0	4	0	43	299.548	1	↓ MOL2 SDF SMILES Flexibase

37325108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6-chloro-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)benzonitrile 4-(6-chloro-[1,2,4]triazolo[3,4-…

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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)	2.93	7.73	-11.27	0	5	0	67	255.668	1	↓ MOL2 SDF SMILES Flexibase

37325109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-fluoro-phenyl)-6-chloro-[1,2,4]triazolo[3,4-f]pyridazine 3-(2-bromo-4-fluoro-phenyl)-6-ch…

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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)	4.07	7.76	-9.91	0	4	0	43	327.544	1	↓ MOL2 SDF SMILES Flexibase

37325111

Analogs

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Popular Name: 6-chloro-3-(2,3-dimethoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazine 6-chloro-3-(2,3-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)	2.99	7.01	-14.67	0	6	0	62	290.71	3	↓ MOL2 SDF SMILES Flexibase

37325112

Analogs

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Popular Name: 3-(4-butoxyphenyl)-6-chloro-[1,2,4]triazolo[3,4-f]pyridazine 3-(4-butoxyphenyl)-6-chloro-[1,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.67	9.15	-10.48	0	5	0	52	302.765	5	↓ MOL2 SDF SMILES Flexibase

37325113

Analogs

34570707

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(4-ethylphenyl)[1,2,4]triazolo[4,3-b]pyridazine 6-chloro-3-(4-ethylphenyl)[1,2,4…

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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)	4.09	8.8	-10.55	0	4	0	43	258.712	2	↓ MOL2 SDF SMILES Flexibase

37325114

Analogs

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Popular Name: 6-chloro-3-(2,5-dimethylphenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(2,5-dimethylphenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.00	8.9	-10.72	0	4	0	43	258.712	1	↓ MOL2 SDF SMILES Flexibase

37325116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(3-methoxy-4-methyl-phenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(3-methoxy-4-methyl-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)	3.61	7.39	-11.38	0	5	0	52	274.711	2	↓ MOL2 SDF SMILES Flexibase

37325119

Analogs

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Popular Name: 6-chloro-3-(3,4-difluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(3,4-difluorophenyl)-…

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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	7.47	-9.9	0	4	0	43	266.638	1	↓ MOL2 SDF SMILES Flexibase

37325124

Analogs

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Popular Name: 6-chloro-3-(5-chloro-2-methoxy-phenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(5-chloro-2-methoxy-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)	3.84	7.47	-12.76	0	5	0	52	295.129	2	↓ MOL2 SDF SMILES Flexibase

37325131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-[4-(difluoromethoxy)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)	3.79	6.93	-12.46	0	5	0	52	296.664	3	↓ MOL2 SDF SMILES Flexibase

37325139

Analogs

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Popular Name: 6-chloro-3-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazine 6-chloro-3-(4-ethoxyphenyl)[1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	7.57	-10.8	0	5	0	52	274.711	3	↓ MOL2 SDF SMILES Flexibase

37325140

Analogs

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Popular Name: 6-chloro-3-(2,6-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(2,6-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)	3.19	5.97	-16.59	0	6	0	62	290.71	3	↓ MOL2 SDF SMILES Flexibase

37325146

Analogs

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Popular Name: 3-(6-chloro-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)benzonitrile 3-(6-chloro-[1,2,4]triazolo[3,4-…

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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)	2.90	7.73	-12.91	0	5	0	67	255.668	1	↓ MOL2 SDF SMILES Flexibase

37325148

Analogs

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Popular Name: 6-chloro-3-(2-chloro-4-fluoro-phenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(2-chloro-4-fluoro-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)	3.94	8.11	-9.85	0	4	0	43	283.093	1	↓ MOL2 SDF SMILES Flexibase

37325151

Analogs

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Popular Name: 6-chloro-3-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(3,4-dichlorophenyl)-…

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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)	4.46	8.32	-9.09	0	4	0	43	299.548	1	↓ MOL2 SDF SMILES Flexibase

37325152

Analogs

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Popular Name: 6-Chloro-3-(3-fluoro-4-methyl-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine 6-Chloro-3-(3-fluoro-4-methyl-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)	3.71	8.07	-10.72	0	4	0	43	262.675	1	↓ MOL2 SDF SMILES Flexibase

37325154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-b]pyridazine 6-chloro-3-(2-methoxyphenyl)[1,2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.18	6.96	-13.9	0	5	0	52	260.684	2	↓ MOL2 SDF SMILES Flexibase

37325155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(4-methylsulfonylphenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(4-methylsulfonylphen…

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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	4.9	-17.9	0	6	0	77	308.75	2	↓ MOL2 SDF SMILES Flexibase

37325157

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(2,3-dichlorophenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(2,3-dichlorophenyl)-…

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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	8.49	-12.01	0	4	0	43	299.548	1	↓ MOL2 SDF SMILES Flexibase

37325161

Analogs

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Popular Name: 6-chloro-3-(5-chloro-2-fluoro-phenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(5-chloro-2-fluoro-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)	3.94	8.02	-11.92	0	4	0	43	283.093	1	↓ MOL2 SDF SMILES Flexibase

37325162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-(2,5-dichlorophenyl)-[1,2,4]triazolo[3,4-f]pyridazine 6-chloro-3-(2,5-dichlorophenyl)-…

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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)	4.46	8.55	-10.55	0	4	0	43	299.548	1	↓ MOL2 SDF SMILES Flexibase

37325168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-bromo-2-fluoro-phenyl)-6-chloro-[1,2,4]triazolo[3,4-f]pyridazine 3-(5-bromo-2-fluoro-phenyl)-6-ch…

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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)	4.07	8.13	-11.77	0	4	0	43	327.544	1	↓ MOL2 SDF SMILES Flexibase

37328260

Analogs

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Popular Name: 3-(6-chloro-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)-N,N-dimethyl-aniline 3-(6-chloro-[1,2,4]triazolo[3,4-…

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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)	3.25	7.74	-11.84	0	5	0	46	273.727	2	↓ MOL2 SDF SMILES Flexibase

37328306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6-chloro-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)-N,N-dimethyl-aniline 4-(6-chloro-[1,2,4]triazolo[3,4-…

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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)	3.28	7.77	-11.58	0	5	0	46	273.727	2	↓ MOL2 SDF SMILES Flexibase

38574985

Analogs

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Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-propyl-acetamide 2-[[3-(4-ethoxyphenyl)-[1,2,4]tr…

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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)	3.51	8.26	-15.25	1	7	0	81	371.466	8	↓ MOL2 SDF SMILES Flexibase

38574987

Analogs

38574991
38575022

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N,N-diisopropyl-acetamide 2-[[3-(4-ethoxyphenyl)-[1,2,4]tr…

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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)	4.22	11.66	-13.84	0	7	0	73	413.547	8	↓ MOL2 SDF SMILES Flexibase

38574991

Analogs

38575022
38574987

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-isopropyl-acetamide 2-[[3-(4-ethoxyphenyl)-[1,2,4]tr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	8.3	-15.22	1	7	0	81	371.466	7	↓ MOL2 SDF SMILES Flexibase

38575002

Analogs

38575016

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-ethyl-acetamide 2-[[3-(4-ethoxyphenyl)-[1,2,4]tr…

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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)	3.01	7.5	-15.34	1	7	0	81	357.439	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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