UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11817233
11817233

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[3,2-a]pyrimidin-3-yl)methanone [(2S)-2-[(3-fluorophenyl)methyl]…

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) 2.05 0.18 -17.59 0 6 0 60 354.385 3 ↓
Mid Mid (pH 6-8) 2.05 0.38 -35.65 1 6 1 61 355.393 3 ↓

Analogs

11817232
11817232

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylimidazo[3,2-a]pyrimidin-3-yl)methanone [(2R)-2-[(3-fluorophenyl)methyl]…

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) 2.05 0.18 -17.59 0 6 0 60 354.385 3 ↓
Mid Mid (pH 6-8) 2.05 0.38 -35.26 1 6 1 61 355.393 3 ↓

Parameters Provided:

ring.id = 50025
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 = 50025 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=50025&filter.purchasability=annotated

Embed Link to Results