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Analogs

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Popular Name: 1,3-dimethyl-6-[(oxoBLAHyl)methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[(oxoBLAHyl)methy…

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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) 1.34 -0.59 -18.78 0 7 0 78 358.423 2 ↓

Analogs

10497755
10497755

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[(methyl-oxo-BLAHyl)methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[(methyl-oxo-BLAH…

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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) 1.82 -0.13 -18.82 0 7 0 78 372.45 2 ↓

Analogs

10497754
10497754

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-6-[(methyl-oxo-BLAHyl)methyl]pyrimidine-2,4-dione 1,3-dimethyl-6-[(methyl-oxo-BLAH…

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) 1.82 -0.65 -22.17 0 7 0 78 372.45 2 ↓

Parameters Provided:

ring.id = 8345
filter.purchasability = annotated
page.format = targets
page.num = 1
fikker-mfch-cIYl = EVN23rAJLXs6ATyjUNU2ynYpkTEJLKQV

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 = 8345 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8345&filter.purchasability=annotated

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