UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36636384
36636384

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Popular Name: [2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]sulfanylmethylBLAHone [2-[(2S)-2-(2,3-dihydro-1,4-benz…

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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) 2.85 10.93 -26.73 1 7 0 85 483.615 5 ↓
Hi High (pH 8-9.5) 3.30 8.49 -65.28 0 7 -1 88 482.607 5 ↓

Analogs

36636382
36636382

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]sulfanylmethylBLAHone [2-[(2R)-2-(2,3-dihydro-1,4-benz…

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) 2.85 10.92 -26.73 1 7 0 85 483.615 5 ↓
Hi High (pH 8-9.5) 3.30 8.48 -65.49 0 7 -1 88 482.607 5 ↓

Parameters Provided:

ring.id = 102042
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 = 102042 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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