UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8594002
8594002

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[4,3-d]pyridazin-6-yl)-N-[(4-isopropoxyphenyl)methyl]propanam 3-(3,4-dimethyl-7-oxo-2-phenyl-p…

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) 3.09 9.97 -22.97 1 8 0 91 459.55 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[4,3-d]pyridazin-6-yl)-N-(o-tolylmethyl)propanamide 3-(3,4-dimethyl-7-oxo-2-phenyl-p…

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) 2.69 9.87 -22.1 1 7 0 82 415.497 6 ↓

Analogs

20563560
20563560

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-3-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[4,3-d]pyridazin-6-yl)propana N-[(2,5-dimethoxyphenyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 7.73 -25.02 1 9 0 100 461.522 8 ↓

Analogs

8593999
8593999

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[4,3-d]pyridazin-6-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop 3-(3,4-dimethyl-7-oxo-2-phenyl-p…

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) 1.92 8.24 -26.36 1 10 0 110 491.548 9 ↓

Parameters Provided:

ring.id = 253837
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 = 253837 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=253837&filter.purchasability=annotated

Embed Link to Results