UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35427479
35427479
35427481
35427481
35427483
35427483
35427485
35427485
35427514
35427514

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Popular Name: (6S)-N-tert-butyl-N'-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-d]pyrazine-1,6-dicarbox (6S)-N-tert-butyl-N'-cyclopentyl…

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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) 1.46 8.3 -16.86 2 8 0 96 401.511 5 ↓

Analogs

35427479
35427479
35427481
35427481
35427483
35427483
35427485
35427485
35427514
35427514

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-tert-butyl-N'-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-d]pyrazine-1,6-dicarbox (6R)-N-tert-butyl-N'-cyclopentyl…

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) 1.46 8.92 -19.05 2 8 0 96 401.511 5 ↓

Parameters Provided:

ring.id = 92321
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 = 92321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=92321&filter.purchasability=annotated

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