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

22767863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-phenyl-acetamide 2-(4-cyclopropyl-7-oxo-1-phenyl-…

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)	2.46	9.44	-22.11	1	7	0	82	385.427	5	↓ MOL2 SDF SMILES Flexibase

22767865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-(o-tolyl)acetamide 2-(4-cyclopropyl-7-oxo-1-phenyl-…

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)	2.86	10.26	-22.42	1	7	0	82	399.454	5	↓ MOL2 SDF SMILES Flexibase

22767867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-(m-tolyl)acetamide 2-(4-cyclopropyl-7-oxo-1-phenyl-…

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)	2.89	10.09	-21.87	1	7	0	82	399.454	5	↓ MOL2 SDF SMILES Flexibase

22767870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-(2,4,6-trimethylphenyl)acetamide 2-(4-cyclopropyl-7-oxo-1-phenyl-…

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)	2.73	11.59	-20.88	1	7	0	82	427.508	5	↓ MOL2 SDF SMILES Flexibase

22767872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-(2-fluorophenyl)acetamide 2-(4-cyclopropyl-7-oxo-1-phenyl-…

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)	2.58	9.54	-19.86	1	7	0	82	403.417	5	↓ MOL2 SDF SMILES Flexibase

22767874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-(4-fluorophenyl)acetamide 2-(4-cyclopropyl-7-oxo-1-phenyl-…

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)	2.63	9.5	-22.2	1	7	0	82	403.417	5	↓ MOL2 SDF SMILES Flexibase

22767877

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-(2-methoxyphenyl)acetamide 2-(4-cyclopropyl-7-oxo-1-phenyl-…

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)	2.47	8.88	-21.25	1	8	0	91	415.453	6	↓ MOL2 SDF SMILES Flexibase

22767879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-(2,5-dimethoxyphenyl)acetamide 2-(4-cyclopropyl-7-oxo-1-phenyl-…

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)	2.50	8.17	-24.49	1	9	0	100	445.479	7	↓ MOL2 SDF SMILES Flexibase

22767881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-(3,4-dimethoxyphenyl)acetamide 2-(4-cyclopropyl-7-oxo-1-phenyl-…

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)	2.11	8.66	-24.99	1	9	0	100	445.479	7	↓ MOL2 SDF SMILES Flexibase

22767886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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)	2.63	10.07	-24.13	1	9	0	108	443.463	7	↓ MOL2 SDF SMILES Flexibase

22767888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamidophenyl)-2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-(4-acetamidophenyl)-2-(4-cyclo…

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)	1.68	8.33	-28.56	2	9	0	111	442.479	6	↓ MOL2 SDF SMILES Flexibase

22767902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]benzamide 4-[[2-(4-cyclopropyl-7-oxo-1-phe…

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)	1.28	6.17	-27.3	3	9	0	125	428.452	6	↓ MOL2 SDF SMILES Flexibase

22767931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamid N-(5-chloro-2-methoxy-phenyl)-2-…

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)	3.13	9.39	-22.02	1	8	0	91	449.898	6	↓ MOL2 SDF SMILES Flexibase

22767943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-phenyl-acetamide 2-[1-(3-chlorophenyl)-4-cyclopro…

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)	3.33	9.95	-22.27	1	7	0	82	419.872	5	↓ MOL2 SDF SMILES Flexibase

22767945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(3,5-dimethylphenyl)aceta 2-[1-(3-chlorophenyl)-4-cyclopro…

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)	4.15	11.26	-22.31	1	7	0	82	447.926	5	↓ MOL2 SDF SMILES Flexibase

22767947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methoxyphenyl)acetamid 2-[1-(3-chlorophenyl)-4-cyclopro…

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)	3.39	9.25	-23.86	1	8	0	91	449.898	6	↓ MOL2 SDF SMILES Flexibase

22767985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-methyl-N-phenyl-acetamide 2-[1-(3-chlorophenyl)-4-cyclopro…

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	11.68	-21.96	0	7	0	73	433.899	5	↓ MOL2 SDF SMILES Flexibase

22768018

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-phenyl-acetamide 2-[4-cyclopropyl-1-(4-fluorophen…

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)	2.63	9.51	-20.07	1	7	0	82	403.417	5	↓ MOL2 SDF SMILES Flexibase

22768021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(3,5-dimethylphenyl)aceta 2-[4-cyclopropyl-1-(4-fluorophen…

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)	3.45	10.82	-20.03	1	7	0	82	431.471	5	↓ MOL2 SDF SMILES Flexibase

22768023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(2,4,6-trimethylphenyl)ac 2-[4-cyclopropyl-1-(4-fluorophen…

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)	2.89	11.65	-19.42	1	7	0	82	445.498	5	↓ MOL2 SDF SMILES Flexibase

22768025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(3-fluorophenyl)acetamide 2-[4-cyclopropyl-1-(4-fluorophen…

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)	2.77	9.58	-22.52	1	7	0	82	421.407	5	↓ MOL2 SDF SMILES Flexibase

22768027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyphenyl)acetamid 2-[4-cyclopropyl-1-(4-fluorophen…

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)	2.64	8.95	-19.17	1	8	0	91	433.443	6	↓ MOL2 SDF SMILES Flexibase

22768030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methoxyphenyl)acetamid 2-[4-cyclopropyl-1-(4-fluorophen…

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)	2.68	8.81	-21.63	1	8	0	91	433.443	6	↓ MOL2 SDF SMILES Flexibase

22768031

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(2-ethoxyphenyl)acetamide 2-[4-cyclopropyl-1-(4-fluorophen…

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)	3.01	9.87	-18.84	1	8	0	91	447.47	7	↓ MOL2 SDF SMILES Flexibase

22768033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]acetamide N-(4-acetylphenyl)-2-[4-cyclopro…

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)	2.53	9.88	-25.99	1	8	0	99	445.454	6	↓ MOL2 SDF SMILES Flexibase

22768052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzamide 4-[[2-[4-cyclopropyl-1-(4-fluoro…

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)	1.45	6.24	-25.48	3	9	0	125	446.442	6	↓ MOL2 SDF SMILES Flexibase

22768090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]acetamide N-(4-chlorophenyl)-2-[4-cyclopro…

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	10.01	-19.43	1	7	0	82	437.862	5	↓ MOL2 SDF SMILES Flexibase

22768100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(o-tolyl)acetamide 2-[4-cyclopropyl-1-(o-tolyl)-7-o…

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)	3.48	11.19	-23.02	1	7	0	82	413.481	5	↓ MOL2 SDF SMILES Flexibase

22768102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(p-tolyl)acetamide 2-[4-cyclopropyl-1-(o-tolyl)-7-o…

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)	3.52	11.01	-22.64	1	7	0	82	413.481	5	↓ MOL2 SDF SMILES Flexibase

22768104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide 2-[4-cyclopropyl-1-(o-tolyl)-7-o…

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	12.44	-21.37	1	7	0	82	441.535	5	↓ MOL2 SDF SMILES Flexibase

22768106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(2-fluorophenyl)acetamide 2-[4-cyclopropyl-1-(o-tolyl)-7-o…

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)	3.19	10.48	-20.42	1	7	0	82	417.444	5	↓ MOL2 SDF SMILES Flexibase

22768109

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide 2-[4-cyclopropyl-1-(o-tolyl)-7-o…

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)	3.24	10.42	-22.48	1	7	0	82	417.444	5	↓ MOL2 SDF SMILES Flexibase

22768111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyphenyl)acetamide 2-[4-cyclopropyl-1-(o-tolyl)-7-o…

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)	3.08	9.8	-21.63	1	8	0	91	429.48	6	↓ MOL2 SDF SMILES Flexibase

22768113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide 2-[4-cyclopropyl-1-(o-tolyl)-7-o…

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)	3.11	9.66	-25.91	1	8	0	91	429.48	6	↓ MOL2 SDF SMILES Flexibase

22768123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzamide 4-[[2-[4-cyclopropyl-1-(o-tolyl)…

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)	1.89	7.09	-27.68	3	9	0	125	442.479	6	↓ MOL2 SDF SMILES Flexibase

22768142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]acetamide N-(3-chlorophenyl)-2-[4-cyclopro…

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)	3.73	10.87	-23.59	1	7	0	82	433.899	5	↓ MOL2 SDF SMILES Flexibase

22768144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]acetam N-(3-chloro-4-methyl-phenyl)-2-[…

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)	4.13	11.44	-23.72	1	7	0	82	447.926	5	↓ MOL2 SDF SMILES Flexibase

22768156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(m-tolyl)acetamide 2-[4-cyclopropyl-1-(2,4-dimethyl…

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)	3.92	11.7	-22.87	1	7	0	82	427.508	5	↓ MOL2 SDF SMILES Flexibase

22768158

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyphenyl)acet 2-[4-cyclopropyl-1-(2,4-dimethyl…

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)	3.51	10.46	-21.56	1	8	0	91	443.507	6	↓ MOL2 SDF SMILES Flexibase

22768161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acet 2-[4-cyclopropyl-1-(2,4-dimethyl…

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)	3.53	10.31	-25.85	1	8	0	91	443.507	6	↓ MOL2 SDF SMILES Flexibase

22768179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(2,4-dimethylphenyl)a 2-[4-cyclopropyl-1-(3,4-dimethyl…

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)	4.33	12.16	-22.91	1	7	0	82	441.535	5	↓ MOL2 SDF SMILES Flexibase

22768181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(3,5-dimethylphenyl)a 2-[4-cyclopropyl-1-(3,4-dimethyl…

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)	4.33	12.08	-22.32	1	7	0	82	441.535	5	↓ MOL2 SDF SMILES Flexibase

22768184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(2-fluorophenyl)aceta 2-[4-cyclopropyl-1-(3,4-dimethyl…

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	10.87	-20.11	1	7	0	82	431.471	5	↓ MOL2 SDF SMILES Flexibase

22768186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-(3-fluorophenyl)aceta 2-[4-cyclopropyl-1-(3,4-dimethyl…

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)	3.64	10.82	-20.93	1	7	0	82	431.471	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 125667
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 = 125667 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=125667&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": "125667"        

    });
</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