UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethyl-2,4-dioxo-pyrimidine-5-sulfonamide N-[2-(2-fluorophenoxy)ethyl]-N,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) 0.50 -1.7 -15.82 0 8 0 90 371.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,1,3-trimethyl-2,4-dioxo-N-(2-phenoxyethyl)pyrimidine-5-sulfonamide N,1,3-trimethyl-2,4-dioxo-N-(2-p…

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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) 0.38 4.85 -15.31 0 8 0 91 353.4 6 ↓

Analogs

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Popular Name: 1,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,4-dioxo-pyrimidine-5-sulfonamide 1,3-dimethyl-N-[2-(2-methylpheno…

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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) 0.54 3.9 -20.6 1 8 0 99 353.4 6 ↓

Parameters Provided:

ring.id = 6302
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 = 6302 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=6302&filter.purchasability=annotated

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