UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11838290
11838290
12707091
12707091
12707096
12707096

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Popular Name: N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)pip N-[[(2R)-1,4-dioxan-2-yl]methyl]…

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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) 2.98 -3.72 -15.71 0 7 0 68 436.556 5 ↓

Analogs

12707091
12707091
12707096
12707096
11838289
11838289

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)pip N-[[(2S)-1,4-dioxan-2-yl]methyl]…

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) 2.98 -3.57 -13.36 0 7 0 68 436.556 5 ↓

Parameters Provided:

ring.id = 57481
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 = 57481 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=57481&filter.purchasability=annotated

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