UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-triazole-4-carboxamide N-[2-(3-fluorophenoxy)ethyl]-N-m…

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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) 1.28 4.47 -12.68 1 6 0 71 264.26 5 ↓
Mid Mid (pH 6-8) 1.28 4.45 -44.94 0 6 -1 69 263.252 5 ↓

Analogs

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Popular Name: N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-1H-triazole-4-carboxamide N-[2-(2-methoxyphenoxy)ethyl]-N-…

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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) 0.76 4.2 -14.29 1 7 0 80 276.296 6 ↓
Mid Mid (pH 6-8) 0.76 4.18 -47.73 0 7 -1 79 275.288 6 ↓

Parameters Provided:

ring.id = 541102
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 = 541102 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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