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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36621634
36621634

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Popular Name: 3-[7-(difluoromethyl)-5-(2-furyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic 3-[7-(difluoromethyl)-5-(2-furyl…

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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) 1.46 2.17 -56.2 0 7 -1 96 307.236 5 ↓

Analogs

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Popular Name: 5-(5-methyl-2-furyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic 5-(5-methyl-2-furyl)-[1,2,4]tria…

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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) 0.91 8.65 -48.89 0 7 -1 96 243.202 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(difluoromethyl)-5-(2-furyl)-[1,2,4]triazolo[1,5-a]pyrimidine 7-(difluoromethyl)-5-(2-furyl)-[…

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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) 1.65 8.16 -12.31 0 5 0 56 236.181 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(difluoromethyl)-5-(2-furyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate 7-(difluoromethyl)-5-(2-furyl)-[…

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) 1.33 1.86 -59.96 0 7 -1 96 279.182 3 ↓

Parameters Provided:

ring.id = 99679
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 = 99679 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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