UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

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

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 -0.19 -21.63 1 7 0 82 387.443 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methyl-7-oxo-1-phenyl-pyrazolo[4,5-d]pyridazin-6-yl)acetamide N-[2-(3,4-dimethoxyphenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 0.16 -25.85 1 9 0 100 447.495 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 0.57 -22.08 1 7 0 82 415.497 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxo-pyrazolo[4,5-d]pyridazin-6-yl]-N-phenethyl-acetamide 2-[1-(3,4-dimethylphenyl)-4-meth…

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 0.43 -21.84 1 7 0 82 415.497 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 0.2 -20.55 1 7 0 82 415.497 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 0.94 -18.65 1 7 0 82 433.487 7 ↓

Parameters Provided:

ring.id = 95945
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 = 95945 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=95945&filter.purchasability=annotated

Embed Link to Results