UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5,5-bis[2-(4-pyridyl)ethyl]-1-[[(2S)-tetrahydrofuran-2-yl]methyl]hexahydropyrimidine-2,4,6-trione 5,5-bis[2-(4-pyridyl)ethyl]-1-[[…

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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) 1.89 7.28 -10.5 1 8 0 101 422.485 8 ↓
Mid Mid (pH 6-8) 1.19 4.68 -42.06 0 8 -1 108 421.477 8 ↓
Lo Low (pH 4.5-6) 1.89 8.19 -79.79 3 8 2 104 424.501 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-bis[2-(4-pyridyl)ethyl]-1-[[(2R)-tetrahydrofuran-2-yl]methyl]hexahydropyrimidine-2,4,6-trione 5,5-bis[2-(4-pyridyl)ethyl]-1-[[…

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) 1.89 7.51 -11.52 1 8 0 101 422.485 8 ↓
Mid Mid (pH 6-8) 1.19 4.91 -44.36 0 8 -1 108 421.477 8 ↓
Lo Low (pH 4.5-6) 1.89 7.97 -41.76 2 8 1 103 423.493 8 ↓

Parameters Provided:

ring.id = 195285
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 = 195285 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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