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ZINC Item

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36636784

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(isopentylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide N-[2-[6-(isopentylamino)-[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)	2.87	6.62	-19.07	2	8	0	101	388.497	9	↓ MOL2 SDF SMILES Flexibase

36636788

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-(isopentylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide 4-fluoro-N-[2-[6-(isopentylamino…

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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)	3.03	6.69	-17.85	2	8	0	101	406.487	9	↓ MOL2 SDF SMILES Flexibase

36636791

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(isopentylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesulfonamide N-[2-[6-(isopentylamino)-[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)	3.29	7.29	-18.25	2	8	0	101	402.524	9	↓ MOL2 SDF SMILES Flexibase

36636793

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(isopentylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzenesulfonamide N-[2-[6-(isopentylamino)-[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)	2.88	6.43	-20.34	2	9	0	111	418.523	10	↓ MOL2 SDF SMILES Flexibase

36636794

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(isopentylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenesulfonamide N-[2-[6-(isopentylamino)-[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)	3.32	7.3	-18.14	2	8	0	101	402.524	9	↓ MOL2 SDF SMILES Flexibase

36636835

Analogs

9578764

Draw Identity 99% 90% 80% 70%

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

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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)	2.21	6.11	-20.05	2	9	0	111	418.523	11	↓ MOL2 SDF SMILES Flexibase

36636839

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-(3-isopropoxypropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfona 4-fluoro-N-[2-[6-(3-isopropoxypr…

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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	6.18	-19	2	9	0	111	436.513	11	↓ MOL2 SDF SMILES Flexibase

36636842

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(3-isopropoxypropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesulfon N-[2-[6-(3-isopropoxypropylamino…

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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)	2.63	6.78	-18.92	2	9	0	111	432.55	11	↓ MOL2 SDF SMILES Flexibase

36636844

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(3-isopropoxypropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzenesulfo N-[2-[6-(3-isopropoxypropylamino…

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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)	2.22	5.92	-21.2	2	10	0	120	448.549	12	↓ MOL2 SDF SMILES Flexibase

36636881

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(butylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide N-[2-[6-(butylamino)-[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)	2.65	6.11	-19.18	2	8	0	101	374.47	9	↓ MOL2 SDF SMILES Flexibase

36636884

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(butylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-fluoro-benzenesulfonamide N-[2-[6-(butylamino)-[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)	2.82	6.17	-18	2	8	0	101	392.46	9	↓ MOL2 SDF SMILES Flexibase

36636887

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(butylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesulfonamide N-[2-[6-(butylamino)-[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)	3.08	6.78	-19.03	2	8	0	101	388.497	9	↓ MOL2 SDF SMILES Flexibase

36636889

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(butylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzenesulfonamide N-[2-[6-(butylamino)-[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)	2.66	5.92	-20.4	2	9	0	111	404.496	10	↓ MOL2 SDF SMILES Flexibase

36636891

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(butylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenesulfonamide N-[2-[6-(butylamino)-[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)	3.10	6.79	-19.1	2	8	0	101	388.497	9	↓ MOL2 SDF SMILES Flexibase

36636919

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(3-ethoxypropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide N-[2-[6-(3-ethoxypropylamino)-[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)	1.85	5.37	-20.14	2	9	0	111	404.496	11	↓ MOL2 SDF SMILES Flexibase

36636923

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(3-ethoxypropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-fluoro-benzenesulfonamid N-[2-[6-(3-ethoxypropylamino)-[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)	2.01	5.44	-19.11	2	9	0	111	422.486	11	↓ MOL2 SDF SMILES Flexibase

36636927

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(3-ethoxypropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesulfonamid N-[2-[6-(3-ethoxypropylamino)-[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)	2.27	6.03	-20.01	2	9	0	111	418.523	11	↓ MOL2 SDF SMILES Flexibase

36636929

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(3-ethoxypropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzenesulfonami N-[2-[6-(3-ethoxypropylamino)-[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)	1.86	5.17	-21.29	2	10	0	120	434.522	12	↓ MOL2 SDF SMILES Flexibase

36636931

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(3-ethoxypropylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenesulfonamid N-[2-[6-(3-ethoxypropylamino)-[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)	2.29	6.04	-20.01	2	9	0	111	418.523	11	↓ MOL2 SDF SMILES Flexibase

36636974

Analogs

7446774

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	3.63	-19.31	2	10	0	120	406.468	10	↓ MOL2 SDF SMILES Flexibase

36636978

Analogs

7446774
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2,2-dimethoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-fluoro-benzenesulfon N-[2-[6-(2,2-dimethoxyethylamino…

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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)	1.32	3.7	-18.2	2	10	0	120	424.458	10	↓ MOL2 SDF SMILES Flexibase

36636980

Analogs

7446774
9578766

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2,2-dimethoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesulfon N-[2-[6-(2,2-dimethoxyethylamino…

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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	4.3	-17.98	2	10	0	120	420.495	10	↓ MOL2 SDF SMILES Flexibase

36636981

Analogs

7446774

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2,2-dimethoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzenesulfo N-[2-[6-(2,2-dimethoxyethylamino…

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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)	1.17	3.45	-18.84	2	11	0	129	436.494	11	↓ MOL2 SDF SMILES Flexibase

36636983

Analogs

7446774

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2,2-dimethoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenesulfon N-[2-[6-(2,2-dimethoxyethylamino…

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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)	1.61	4.32	-17.91	2	10	0	120	420.495	10	↓ MOL2 SDF SMILES Flexibase

36636985

Analogs

7446774

Draw Identity 99% 90% 80% 70%

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

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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	5.51	-18.79	2	10	0	120	434.522	12	↓ MOL2 SDF SMILES Flexibase

36636988

Analogs

7446774
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2,2-diethoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-fluoro-benzenesulfona N-[2-[6-(2,2-diethoxyethylamino)…

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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	5.58	-17.82	2	10	0	120	452.512	12	↓ MOL2 SDF SMILES Flexibase

36636992

Analogs

7446774
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2,2-diethoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesulfona N-[2-[6-(2,2-diethoxyethylamino)…

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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)	2.33	6.18	-18.71	2	10	0	120	448.549	12	↓ MOL2 SDF SMILES Flexibase

36636993

Analogs

7446774

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2,2-diethoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzenesulfon N-[2-[6-(2,2-diethoxyethylamino)…

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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)	1.92	5.32	-19.78	2	11	0	129	464.548	13	↓ MOL2 SDF SMILES Flexibase

36636995

Analogs

7446774

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2,2-diethoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenesulfona N-[2-[6-(2,2-diethoxyethylamino)…

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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)	2.36	6.19	-18.72	2	10	0	120	448.549	12	↓ MOL2 SDF SMILES Flexibase

36637031

Analogs

9578766

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2-dimethylaminoethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide N-[2-[6-(2-dimethylaminoethylami…

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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)	1.25	5.87	-61.95	3	9	1	106	390.493	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.25	3.39	-19.71	2	9	0	105	389.485	9	↓ MOL2 SDF SMILES Flexibase

36637035

Analogs

9578766

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2-dimethylaminoethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-fluoro-benzenesulf N-[2-[6-(2-dimethylaminoethylami…

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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)	1.41	5.91	-60.59	3	9	1	106	408.483	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.41	3.46	-18.54	2	9	0	105	407.475	9	↓ MOL2 SDF SMILES Flexibase

36637039

Analogs

9578766

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Popular Name: N-[2-[6-(2-dimethylaminoethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesulf N-[2-[6-(2-dimethylaminoethylami…

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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)	1.67	6.53	-55.33	3	9	1	106	404.52	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.67	4.06	-18.81	2	9	0	105	403.512	9	↓ MOL2 SDF SMILES Flexibase

36637041

Analogs

9578766

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2-dimethylaminoethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzenesul N-[2-[6-(2-dimethylaminoethylami…

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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)	1.25	5.67	-62.98	3	10	1	115	420.519	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.25	3.19	-20.95	2	10	0	114	419.511	10	↓ MOL2 SDF SMILES Flexibase

36637043

Analogs

9578766

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2-dimethylaminoethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenesulf N-[2-[6-(2-dimethylaminoethylami…

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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)	1.69	6.54	-55.34	3	9	1	106	404.52	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.69	4.07	-19.06	2	9	0	105	403.512	9	↓ MOL2 SDF SMILES Flexibase

36637059

Analogs

7446774

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2-methoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide N-[2-[6-(2-methoxyethylamino)-[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)	1.20	3.64	-19.78	2	9	0	111	376.442	9	↓ MOL2 SDF SMILES Flexibase

36637063

Analogs

7446774
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-(2-methoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide 4-fluoro-N-[2-[6-(2-methoxyethyl…

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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)	1.36	3.71	-18.57	2	9	0	111	394.432	9	↓ MOL2 SDF SMILES Flexibase

36637066

Analogs

7446774
9578766

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2-methoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesulfonamid N-[2-[6-(2-methoxyethylamino)-[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)	1.62	4.32	-18.95	2	9	0	111	390.469	9	↓ MOL2 SDF SMILES Flexibase

36637068

Analogs

7446774

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[2-[6-(2-methoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamid 2-methoxy-N-[2-[6-(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)	1.21	3.45	-20.99	2	10	0	120	406.468	10	↓ MOL2 SDF SMILES Flexibase

36637070

Analogs

7446774

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(2-methoxyethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenesulfonamid N-[2-[6-(2-methoxyethylamino)-[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)	1.65	4.33	-18.81	2	9	0	111	390.469	9	↓ MOL2 SDF SMILES Flexibase

36637072

Analogs

9578766

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide N-[2-[6-[3-(dimethylamino)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)	1.51	6.64	-60.63	3	9	1	106	404.52	10	↓ MOL2 SDF SMILES Flexibase

36637076

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-fluoro-benzenes N-[2-[6-[3-(dimethylamino)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)	1.68	6.72	-58.92	3	9	1	106	422.51	10	↓ MOL2 SDF SMILES Flexibase

36637079

Analogs

9578766

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenes N-[2-[6-[3-(dimethylamino)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)	1.94	7.32	-54.73	3	9	1	106	418.547	10	↓ MOL2 SDF SMILES Flexibase

36637081

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzene N-[2-[6-[3-(dimethylamino)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)	1.52	6.45	-61.49	3	10	1	115	434.546	11	↓ MOL2 SDF SMILES Flexibase

36637083

Analogs

9578766

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[3-(dimethylamino)propylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenes N-[2-[6-[3-(dimethylamino)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)	1.96	7.32	-54.76	3	9	1	106	418.547	10	↓ MOL2 SDF SMILES Flexibase

36637084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(isobutylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide N-[2-[6-(isobutylamino)-[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)	2.34	6.07	-19	2	8	0	101	374.47	8	↓ MOL2 SDF SMILES Flexibase

36637087

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-(isobutylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide 4-fluoro-N-[2-[6-(isobutylamino)…

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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)	2.50	6.13	-17.79	2	8	0	101	392.46	8	↓ MOL2 SDF SMILES Flexibase

36637091

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(isobutylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesulfonamide N-[2-[6-(isobutylamino)-[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)	2.76	6.73	-18.04	2	8	0	101	388.497	8	↓ MOL2 SDF SMILES Flexibase

36637092

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(isobutylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzenesulfonamide N-[2-[6-(isobutylamino)-[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)	2.35	5.87	-20.14	2	9	0	111	404.496	9	↓ MOL2 SDF SMILES Flexibase

36637094

Analogs

9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(isobutylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenesulfonamide N-[2-[6-(isobutylamino)-[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)	2.79	6.74	-17.98	2	8	0	101	388.497	8	↓ MOL2 SDF SMILES Flexibase

36637120

Analogs

7446774

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[2-(2-hydroxyethoxy)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamid N-[2-[6-[2-(2-hydroxyethoxy)ethy…

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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)	0.47	1.5	-22.13	3	10	0	131	406.468	11	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 102437
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 102437 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "102437"        

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