UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39226834
39226834

Draw Identity 99% 90% 80% 70%

Popular Name: spiro[chromane-2,3'-pyrrolidin]-4-one hydrochloride spiro[chromane-2,3'-pyrrolidin]-…

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) 1.58 4.22 -48.55 2 3 1 43 204.249 0 ↓
Hi High (pH 8-9.5) 1.58 2.78 -6 1 3 0 38 203.241 0 ↓

Analogs

39226834
39226834

Draw Identity 99% 90% 80% 70%

Popular Name: spiro[chromane-2,3'-pyrrolidin]-4-one hydrochloride spiro[chromane-2,3'-pyrrolidin]-…

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) 1.58 4.2 -44.19 2 3 1 43 204.249 0 ↓
Hi High (pH 8-9.5) 1.58 2.77 -6.73 1 3 0 38 203.241 0 ↓

Parameters Provided:

ring.id = 67375
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 = 67375 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=67375&filter.purchasability=annotated

Embed Link to Results