UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36636739
36636739
36636741
36636741
6080768
6080768
11507110
11507110
11507104
11507104

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Popular Name: 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-a 2-[[8-chloro-6-(trifluoromethyl)…

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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) 4.77 12.2 -9.33 0 5 0 51 420.888 6 ↓

Analogs

6099524
6099524
6099526
6099526
6099608
6099608
6099646
6099646
6099647
6099647

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Popular Name: N-cyclohexyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thio]-N-methyl-acetamide N-cyclohexyl-2-[(6,8-dichloro-[1…

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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) 4.18 10.75 -10.26 0 5 0 51 373.309 4 ↓

Parameters Provided:

ring.id = 102384
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 = 102384 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=102384&filter.purchasability=annotated

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