UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7446774
7446774
9578764
9578764

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Popular Name: N-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)ethyl]benzenesulfonamide N-[2-(6-pyrrolidin-1-yl-[1,2,4]t…

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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) 1.86 6.64 -18.2 1 8 0 92 372.454 6 ↓

Analogs

9578764
9578764

Draw Identity 99% 90% 80% 70%

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

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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) 2.03 6.71 -17.32 1 8 0 92 390.444 6 ↓

Analogs

7446774
7446774
9578764
9578764

Draw Identity 99% 90% 80% 70%

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

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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) 2.29 7.32 -18.17 1 8 0 92 386.481 6 ↓

Analogs

7446774
7446774
13848128
13848128

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)ethyl]benzenesulfonamide 2-methoxy-N-[2-(6-pyrrolidin-1-y…

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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) 1.87 6.45 -19.24 1 9 0 102 402.48 7 ↓

Analogs

7446774
7446774

Draw Identity 99% 90% 80% 70%

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

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) 2.31 7.33 -18.08 1 8 0 92 386.481 6 ↓

Parameters Provided:

ring.id = 102821
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 = 102821 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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