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

22767861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)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)	0.39	4.2	-21.89	2	7	0	96	309.329	4	↓ MOL2 SDF SMILES Flexibase

22767893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	1.00	7.54	-19.37	1	9	0	108	395.419	8	↓ MOL2 SDF SMILES Flexibase

22767913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-methyl-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)	0.77	5.69	-22.03	1	7	0	82	323.356	4	↓ MOL2 SDF SMILES Flexibase

22767915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N-isopropyl-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)	1.44	7.36	-21.47	1	7	0	82	351.41	5	↓ MOL2 SDF SMILES Flexibase

22767918

Analogs

Draw Identity 99% 90% 80% 70%

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

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	7.82	-20.35	1	7	0	82	365.437	5	↓ MOL2 SDF SMILES Flexibase

22767920

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-methoxyethyl)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)	0.75	5.6	-21.8	1	8	0	91	367.409	7	↓ MOL2 SDF SMILES Flexibase

22767922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyclopropyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)-N,N-diisopropyl-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)	2.36	10.62	-18.42	0	7	0	73	393.491	6	↓ MOL2 SDF SMILES Flexibase

22767941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]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)	1.26	4.71	-21.96	2	7	0	96	343.774	4	↓ MOL2 SDF SMILES Flexibase

22767951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	1.87	8.05	-19.53	1	9	0	108	429.864	8	↓ MOL2 SDF SMILES Flexibase

22767976

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-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)	1.63	6.2	-22.13	1	7	0	82	357.801	4	↓ MOL2 SDF SMILES Flexibase

22767978

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-propyl-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)	2.51	7.79	-21.5	1	7	0	82	385.855	6	↓ MOL2 SDF SMILES Flexibase

22767980

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-isopropyl-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)	2.30	7.87	-21.5	1	7	0	82	385.855	5	↓ MOL2 SDF SMILES Flexibase

22767983

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-(2-methoxyethyl)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)	1.62	6.1	-22.18	1	8	0	91	401.854	7	↓ MOL2 SDF SMILES Flexibase

22767995

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,N-diisopropyl-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)	3.22	10.72	-20.28	0	7	0	73	427.936	6	↓ MOL2 SDF SMILES Flexibase

22768002

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-1-(4-fluorophenyl)-6-methyl-pyrazolo[5,4-d]pyridazin-7-one 4-cyclopropyl-1-(4-fluorophenyl)…

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)	1.82	7.14	-10.5	0	5	0	53	284.294	2	↓ MOL2 SDF SMILES Flexibase

22768016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]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)	0.56	4.26	-19.82	2	7	0	96	327.319	4	↓ MOL2 SDF SMILES Flexibase

22768040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	1.17	7.61	-17.38	1	9	0	108	413.409	8	↓ MOL2 SDF SMILES Flexibase

22768064

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-methyl-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)	0.93	5.76	-19.84	1	7	0	82	341.346	4	↓ MOL2 SDF SMILES Flexibase

22768066

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-propyl-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)	1.81	7.35	-19.23	1	7	0	82	369.4	6	↓ MOL2 SDF SMILES Flexibase

22768068

Analogs

Draw Identity 99% 90% 80% 70%

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

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)	2.12	7.89	-18.18	1	7	0	82	383.427	5	↓ MOL2 SDF SMILES Flexibase

22768071

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-methoxyethyl)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)	0.91	5.67	-19.75	1	8	0	91	385.399	7	↓ MOL2 SDF SMILES Flexibase

22768081

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,N-diisopropyl-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)	2.52	10.28	-17.71	0	7	0	73	411.481	6	↓ MOL2 SDF SMILES Flexibase

22768097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-cyclopropyl-1-(o-tolyl)-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]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)	1.00	5.12	-22.44	2	7	0	96	323.356	4	↓ MOL2 SDF SMILES Flexibase

22768127

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-methyl-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)	1.38	6.61	-22.54	1	7	0	82	337.383	4	↓ MOL2 SDF SMILES Flexibase

22768129

Analogs

Draw Identity 99% 90% 80% 70%

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

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)	2.56	8.74	-20.92	1	7	0	82	379.464	5	↓ MOL2 SDF SMILES Flexibase

22768154

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]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)	1.43	5.77	-22.33	2	7	0	96	337.383	4	↓ MOL2 SDF SMILES Flexibase

22768167

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-methyl-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)	1.80	7.27	-22.44	1	7	0	82	351.41	4	↓ MOL2 SDF SMILES Flexibase

22768170

Analogs

Draw Identity 99% 90% 80% 70%

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

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)	2.99	9.4	-20.84	1	7	0	82	393.491	5	↓ MOL2 SDF SMILES Flexibase

22768172

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,N-diisopropyl-acetami 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)	3.39	12.2	-19.03	0	7	0	73	421.545	6	↓ MOL2 SDF SMILES Flexibase

22768174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyclopropyl-1-(3,4-dimethylphenyl)-6-methyl-pyrazolo[5,4-d]pyridazin-7-one 4-cyclopropyl-1-(3,4-dimethylphe…

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)	2.70	8.4	-12.43	0	5	0	53	294.358	2	↓ MOL2 SDF SMILES Flexibase

22768190

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-propyl-acetamide 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)	2.68	8.54	-21.52	1	7	0	82	379.464	6	↓ MOL2 SDF SMILES Flexibase

22768193

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-methoxyethyl)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)	1.79	6.92	-22.11	1	8	0	91	395.463	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 125665
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 = 125665 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=125665&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": "125665"        

    });
</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