UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34603728
34603728
34603729
34603729
45348096
45348096
45385651
45385651
26728729
26728729

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4,7-diazaspiro[2.5]octan-7-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-quinoline 7-(4,7-diazaspiro[2.5]octan-7-yl…

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) 0.10 9.76 -101.51 2 7 0 91 405.401 4 ↓
Hi High (pH 8-9.5) 0.10 8.54 -67.07 1 7 -1 87 404.393 4 ↓
Mid Mid (pH 6-8) 0.10 7.75 -54.89 3 7 1 88 406.409 4 ↓

Parameters Provided:

ring.id = 13637
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 = 13637 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=13637&filter.purchasability=annotated

Embed Link to Results