UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12402477
12402477

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-hydroxy-5,5-dimethyl-1-(2-quinolyl)-2-(trifluoromethyl)-6H-benzo[g]indolizin-3-one (2R)-2-hydroxy-5,5-dimethyl-1-(2…

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) 3.93 0.64 -13.43 1 4 0 53 424.422 2 ↓
Lo Low (pH 4.5-6) 3.93 0.7 -27.97 2 4 1 55 425.43 2 ↓

Analogs

12402476
12402476

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-hydroxy-5,5-dimethyl-1-(2-quinolyl)-2-(trifluoromethyl)-6H-benzo[g]indolizin-3-one (2S)-2-hydroxy-5,5-dimethyl-1-(2…

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) 3.93 0.57 -11.9 1 4 0 53 424.422 2 ↓
Lo Low (pH 4.5-6) 3.93 0.65 -28.39 2 4 1 55 425.43 2 ↓

Parameters Provided:

ring.id = 101215
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 = 101215 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=101215&filter.purchasability=annotated

Embed Link to Results