UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(2,3-dihydrofuro[3,2-b]pyridin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic (3S)-3-(2,3-dihydrofuro[3,2-b]py…

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) 2.36 11.81 -63.54 2 6 0 88 409.53 10 ↓
Hi High (pH 8-9.5) 2.36 11.44 -54.38 1 6 -1 87 408.522 10 ↓
Lo Low (pH 4.5-6) 2.36 10.54 -65.36 4 6 2 87 411.546 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(2,3-dihydrofuro[3,2-b]pyridin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic (3R)-3-(2,3-dihydrofuro[3,2-b]py…

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) 2.36 11.95 -64.92 2 6 0 88 409.53 10 ↓
Hi High (pH 8-9.5) 2.36 11.58 -54.84 1 6 -1 87 408.522 10 ↓
Lo Low (pH 4.5-6) 2.36 12.22 -70.68 3 6 1 90 410.538 10 ↓

Parameters Provided:

ring.id = 544672
filter.purchasability = annotated
page.format = targets
page.num = 1
VisitorId = a57180d0-6074-4ad2-98fd-2a49f9120964

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 = 544672 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=544672&filter.purchasability=annotated

Embed Link to Results