UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-3-[[(5S)-2-oxo-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]oxazolidin-5-yl]methyl] 1-isopropyl-3-[[(5S)-2-oxo-3-[4-…

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) 1.87 8.26 -34.68 2 10 0 114 395.423 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-3-[[(5S)-2-oxo-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]oxazolidin-5-yl]methyl 1-tert-butyl-3-[[(5S)-2-oxo-3-[4…

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) 2.38 8.66 -33.94 2 10 0 114 409.45 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-3-[[(5S)-2-oxo-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]oxazolidin-5-yl]methyl]urea 1-butyl-3-[[(5S)-2-oxo-3-[4-([1,…

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) 2.63 8.97 -34.63 2 10 0 114 409.45 7 ↓

Parameters Provided:

ring.id = 266532
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 = 266532 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=266532&filter.purchasability=annotated

Embed Link to Results