UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]-N-(2H-tetrazol-5-yl)pyrimidine-4-carboxamide 2-[5-[ethyl(methyl)BLAHyl]-2,4-d…

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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) 2.00 13.52 -51.22 2 12 -1 163 532.544 5 ↓
Hi High (pH 8-9.5) 2.46 11.08 -109.88 1 12 -2 166 531.536 5 ↓
Lo Low (pH 4.5-6) 2.00 13.46 -16.51 3 12 0 164 533.552 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[ethyl(methyl)BLAHyl]-2,4-dioxo-pyrimidin-1-yl]-N-(2H-tetrazol-5-yl)pyrimidine-4-carboxamide 2-[5-[ethyl(methyl)BLAHyl]-2,4-d…

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) 2.00 13.53 -51.23 2 12 -1 163 532.544 5 ↓
Hi High (pH 8-9.5) 2.46 11.09 -109.55 1 12 -2 166 531.536 5 ↓
Lo Low (pH 4.5-6) 2.00 13.46 -16.52 3 12 0 164 533.552 5 ↓

Parameters Provided:

ring.id = 198075
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 = 198075 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=198075&filter.purchasability=annotated

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