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ZINC Item

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36636822

Analogs

9578765
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(2-methoxyphenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide N-[2-[6-[(2-methoxyphenyl)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)	2.62	6.93	-19.82	2	9	0	111	438.513	9	↓ MOL2 SDF SMILES Flexibase

36636826

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-[(2-methoxyphenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesu 4-fluoro-N-[2-[6-[(2-methoxyphen…

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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	6.99	-18.49	2	9	0	111	456.503	9	↓ MOL2 SDF SMILES Flexibase

36636830

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(2-methoxyphenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenes N-[2-[6-[(2-methoxyphenyl)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)	3.05	7.6	-19.27	2	9	0	111	452.54	9	↓ MOL2 SDF SMILES Flexibase

36636831

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[2-[6-[(2-methoxyphenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenes 2-methoxy-N-[2-[6-[(2-methoxyphe…

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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	6.74	-21.16	2	10	0	120	468.539	10	↓ MOL2 SDF SMILES Flexibase

36636833

Analogs

9578765
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(2-methoxyphenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenes N-[2-[6-[(2-methoxyphenyl)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)	3.07	7.61	-19.21	2	9	0	111	452.54	9	↓ MOL2 SDF SMILES Flexibase

36636846

Analogs

9578765

Draw Identity 99% 90% 80% 70%

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

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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	8.11	-18.58	2	8	0	101	442.932	8	↓ MOL2 SDF SMILES Flexibase

36636849

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(4-chlorophenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-fluoro-benzenesu N-[2-[6-[(4-chlorophenyl)methyla…

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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)	3.46	8.18	-18.78	2	8	0	101	460.922	8	↓ MOL2 SDF SMILES Flexibase

36636852

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(4-chlorophenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesu N-[2-[6-[(4-chlorophenyl)methyla…

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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)	3.72	8.78	-18.55	2	8	0	101	456.959	8	↓ MOL2 SDF SMILES Flexibase

36636854

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(4-chlorophenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzenes N-[2-[6-[(4-chlorophenyl)methyla…

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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)	3.30	7.91	-19.38	2	9	0	111	472.958	9	↓ MOL2 SDF SMILES Flexibase

36636906

Analogs

9578765
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide N-[2-[6-[(4-methoxyphenyl)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)	2.67	6.9	-20.58	2	9	0	111	438.513	9	↓ MOL2 SDF SMILES Flexibase

36636910

Analogs

9578765
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesu 4-fluoro-N-[2-[6-[(4-methoxyphen…

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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)	2.83	6.96	-19.48	2	9	0	111	456.503	9	↓ MOL2 SDF SMILES Flexibase

36636914

Analogs

9578765
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenes N-[2-[6-[(4-methoxyphenyl)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)	3.10	7.56	-19.4	2	9	0	111	452.54	9	↓ MOL2 SDF SMILES Flexibase

36636915

Analogs

9578765
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[2-[6-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenes 2-methoxy-N-[2-[6-[(4-methoxyphe…

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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	6.69	-21.82	2	10	0	120	468.539	10	↓ MOL2 SDF SMILES Flexibase

36636917

Analogs

9578765
9578764

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(4-methoxyphenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenes N-[2-[6-[(4-methoxyphenyl)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)	3.12	7.57	-19.35	2	9	0	111	452.54	9	↓ MOL2 SDF SMILES Flexibase

36636933

Analogs

9578765

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	8	-18.84	2	8	0	101	442.932	8	↓ MOL2 SDF SMILES Flexibase

36636937

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(2-chlorophenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-fluoro-benzenesu N-[2-[6-[(2-chlorophenyl)methyla…

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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)	3.41	8.07	-18.15	2	8	0	101	460.922	8	↓ MOL2 SDF SMILES Flexibase

36636941

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(2-chlorophenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesu N-[2-[6-[(2-chlorophenyl)methyla…

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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)	3.67	8.68	-18.79	2	8	0	101	456.959	8	↓ MOL2 SDF SMILES Flexibase

36636943

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(2-chlorophenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzenes N-[2-[6-[(2-chlorophenyl)methyla…

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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	7.82	-19.74	2	9	0	111	472.958	9	↓ MOL2 SDF SMILES Flexibase

36636945

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(2-chlorophenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenesu N-[2-[6-[(2-chlorophenyl)methyla…

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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)	3.69	8.69	-18.69	2	8	0	101	456.959	8	↓ MOL2 SDF SMILES Flexibase

36636961

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-(p-tolylmethylamino)-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesulfonamide N-[2-[6-(p-tolylmethylamino)-[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)	3.06	8.27	-19.01	2	8	0	101	422.514	8	↓ MOL2 SDF SMILES Flexibase

36636964

Analogs

9578765

Draw Identity 99% 90% 80% 70%

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

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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)	3.23	8.34	-17.87	2	8	0	101	440.504	8	↓ MOL2 SDF SMILES Flexibase

36636968

Analogs

9578765

Draw Identity 99% 90% 80% 70%

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

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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)	3.49	8.94	-18.86	2	8	0	101	436.541	8	↓ MOL2 SDF SMILES Flexibase

36636970

Analogs

9578765
9578764

Draw Identity 99% 90% 80% 70%

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

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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	8.08	-20.24	2	9	0	111	452.54	9	↓ MOL2 SDF SMILES Flexibase

36636972

Analogs

9578765
9578764

Draw Identity 99% 90% 80% 70%

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

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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	8.95	-18.9	2	8	0	101	436.541	8	↓ MOL2 SDF SMILES Flexibase

36636997

Analogs

9578765

Draw Identity 99% 90% 80% 70%

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

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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	7.59	-19.01	2	8	0	101	408.487	8	↓ MOL2 SDF SMILES Flexibase

36637001

Analogs

9578765

Draw Identity 99% 90% 80% 70%

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

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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	7.65	-17.83	2	8	0	101	426.477	8	↓ MOL2 SDF SMILES Flexibase

36637005

Analogs

9578765

Draw Identity 99% 90% 80% 70%

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

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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)	3.04	8.26	-18.01	2	8	0	101	422.514	8	↓ MOL2 SDF SMILES Flexibase

36637007

Analogs

9578765
9578764

Draw Identity 99% 90% 80% 70%

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

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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	7.39	-19.03	2	9	0	111	438.513	9	↓ MOL2 SDF SMILES Flexibase

36637009

Analogs

9578765

Draw Identity 99% 90% 80% 70%

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

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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)	3.06	8.27	-17.97	2	8	0	101	422.514	8	↓ MOL2 SDF SMILES Flexibase

36637010

Analogs

9578765

Draw Identity 99% 90% 80% 70%

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

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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	7.65	-19.15	2	8	0	101	426.477	8	↓ MOL2 SDF SMILES Flexibase

36637013

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzenesul 4-fluoro-N-[2-[6-[(4-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.94	7.72	-19.52	2	8	0	101	444.467	8	↓ MOL2 SDF SMILES Flexibase

36637015

Analogs

9578765
9578764

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Popular Name: N-[2-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-3-methyl-benzenesu N-[2-[6-[(4-fluorophenyl)methyla…

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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)	3.20	8.33	-19.19	2	8	0	101	440.504	8	↓ MOL2 SDF SMILES Flexibase

36637016

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9578765

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Popular Name: N-[2-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-2-methoxy-benzenes N-[2-[6-[(4-fluorophenyl)methyla…

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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	7.46	-19.95	2	9	0	111	456.503	9	↓ MOL2 SDF SMILES Flexibase

36637017

Analogs

9578765

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzenesu N-[2-[6-[(4-fluorophenyl)methyla…

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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)	3.23	8.34	-19.06	2	8	0	101	440.504	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 102479
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 = 102479 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": "102479"        

    });
</script>

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