ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

36634980

Analogs

9578752

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	9.81	-22.22	2	8	0	93	416.485	9	↓ MOL2 SDF SMILES Flexibase

36634981

Analogs

9578752

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamid 3-fluoro-N-[2-[6-[2-(2-methoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	9.88	-23.75	2	8	0	93	434.475	9	↓ MOL2 SDF SMILES Flexibase

36634982

Analogs

9578752

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamid 4-fluoro-N-[2-[6-[2-(2-methoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	9.88	-21.29	2	8	0	93	434.475	9	↓ MOL2 SDF SMILES Flexibase

36634983

Analogs

9578752

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamid 3-chloro-N-[2-[6-[2-(2-methoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.81	10.32	-22.93	2	8	0	93	450.93	9	↓ MOL2 SDF SMILES Flexibase

36634984

Analogs

9578752
4358558
9578754

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.58	10.48	-22.1	2	8	0	93	430.512	9	↓ MOL2 SDF SMILES Flexibase

36634985

Analogs

9578752

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[2-[6-[2-(2-methoxyphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamid 2-fluoro-N-[2-[6-[2-(2-methoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.27	9.89	-26.31	2	8	0	93	434.475	9	↓ MOL2 SDF SMILES Flexibase

36635039

Analogs

4358558
9578754
9578761

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamid 3-fluoro-N-[2-[6-[2-(4-methoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.34	9.82	-24.54	2	8	0	93	434.475	9	↓ MOL2 SDF SMILES Flexibase

36635040

Analogs

4358558
9578754
9578761

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamid 4-fluoro-N-[2-[6-[2-(4-methoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	9.82	-22.29	2	8	0	93	434.475	9	↓ MOL2 SDF SMILES Flexibase

36635041

Analogs

4358558
9578754
9578761

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamid 3-chloro-N-[2-[6-[2-(4-methoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.86	10.26	-23.79	2	8	0	93	450.93	9	↓ MOL2 SDF SMILES Flexibase

36635042

Analogs

4358558
9578754
9578761

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.62	10.42	-23.66	2	8	0	93	430.512	9	↓ MOL2 SDF SMILES Flexibase

36635043

Analogs

4358558
9578754
9578761

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[2-[6-[2-(4-methoxyphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamid 2-fluoro-N-[2-[6-[2-(4-methoxyph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	9.83	-27.06	2	8	0	93	434.475	9	↓ MOL2 SDF SMILES Flexibase

36635112

Analogs

4358575

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	10.52	-23.11	2	7	0	84	404.449	8	↓ MOL2 SDF SMILES Flexibase

36635113

Analogs

4358575
20516278
4358572

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	10.52	-20.68	2	7	0	84	404.449	8	↓ MOL2 SDF SMILES Flexibase

36635114

Analogs

4358575

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.80	10.96	-22.28	2	7	0	84	420.904	8	↓ MOL2 SDF SMILES Flexibase

36635115

Analogs

4358575
4358554
4358558

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.57	11.12	-21.65	2	7	0	84	400.486	8	↓ MOL2 SDF SMILES Flexibase

36635116

Analogs

4358575
20516274
20516276
20516280

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.26	10.53	-25.55	2	7	0	84	404.449	8	↓ MOL2 SDF SMILES Flexibase

36635117

Analogs

4358575
4358582
4358554

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	11.13	-21.4	2	7	0	84	400.486	8	↓ MOL2 SDF SMILES Flexibase

36636604

Analogs

9578761
9578763

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	9.72	-27.21	2	9	0	103	464.501	10	↓ MOL2 SDF SMILES Flexibase

36636606

Analogs

9578761
9578763

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	9.72	-24.94	2	9	0	103	464.501	10	↓ MOL2 SDF SMILES Flexibase

36636607

Analogs

9578761
9578763

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benz 3-chloro-N-[2-[6-[2-(3,4-dimetho…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.44	10.16	-26.37	2	9	0	103	480.956	10	↓ MOL2 SDF SMILES Flexibase

36636609

Analogs

9578761
9578763

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.21	10.32	-25.82	2	9	0	103	460.538	10	↓ MOL2 SDF SMILES Flexibase

36636610

Analogs

9578761
9578763

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.91	9.73	-29.59	2	9	0	103	464.501	10	↓ MOL2 SDF SMILES Flexibase

36636744

Analogs

4358575
4358554
9578754

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[6-[2-(4-sulfamoylphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzamide N-[2-[6-[2-(4-sulfamoylphenyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.84	5.42	-30.16	4	10	0	144	465.539	9	↓ MOL2 SDF SMILES Flexibase

36636746

Analogs

4358575

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[2-[6-[2-(4-sulfamoylphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzam 3-fluoro-N-[2-[6-[2-(4-sulfamoyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.98	5.48	-28.03	4	10	0	144	483.529	9	↓ MOL2 SDF SMILES Flexibase

36636748

Analogs

4358575
20516278
4358572

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-[6-[2-(4-sulfamoylphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzam 4-fluoro-N-[2-[6-[2-(4-sulfamoyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	5.48	-29.45	4	10	0	144	483.529	9	↓ MOL2 SDF SMILES Flexibase

36636750

Analogs

4358575

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[6-[2-(4-sulfamoylphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzam 3-chloro-N-[2-[6-[2-(4-sulfamoyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.49	5.94	-28.02	4	10	0	144	499.984	9	↓ MOL2 SDF SMILES Flexibase

36636752

Analogs

4358575

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[2-[6-[2-(4-sulfamoylphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzam 3-methyl-N-[2-[6-[2-(4-sulfamoyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.26	6.08	-30.07	4	10	0	144	479.566	9	↓ MOL2 SDF SMILES Flexibase

36636754

Analogs

20516274
4358575
20516276
20516280

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[2-[6-[2-(4-sulfamoylphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzam 2-fluoro-N-[2-[6-[2-(4-sulfamoyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.95	5.5	-34.34	4	10	0	144	483.529	9	↓ MOL2 SDF SMILES Flexibase

36636756

Analogs

4358575
4358582
9578754

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[2-[6-[2-(4-sulfamoylphenyl)ethylamino]-[1,2,4]triazolo[3,4-f]pyridazin-3-yl]ethyl]benzam 4-methyl-N-[2-[6-[2-(4-sulfamoyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	6.09	-29.75	4	10	0	144	479.566	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 100710
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 = 100710 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=100710&filter.purchasability=annotated

Embed Link to Results

<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": "100710"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations