UCSF
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Popular Name: 2-[[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[5,4-e]pyrimidin-6-yl)phenyl]-formyl-amino]-N-(4-fluoropheny 2-[[4-(2,4-dioxo-1,3-dipropyl-5H…

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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) 4.98 12.14 -29.02 2 9 0 109 505.55 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[5,4-e]pyrimidin-6-yl)phenyl]-formyl-amino]-N-phenyl-acetami 2-[[4-(2,4-dioxo-1,3-dipropyl-5H…

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) 4.81 12.08 -27.69 2 9 0 109 487.56 9 ↓

Parameters Provided:

ring.id = 224171
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 = 224171 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=224171&filter.purchasability=annotated

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