UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 1.10 8.17 -55.56 0 6 -1 83 259.289 3 ↓

Analogs

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Popular Name: 2-[1-[(6-methyl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)methyl]cyclopentyl]acetic 2-[1-[(6-methyl-[1,2,4]triazolo[…

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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) 1.38 8.46 -64.73 0 6 -1 83 273.316 4 ↓
Lo Low (pH 4.5-6) 1.38 6.48 -14.04 1 6 0 80 274.324 4 ↓

Parameters Provided:

ring.id = 216931
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 = 216931 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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