UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11821834
11821834

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-2-(4-hydroxy-1-piperidyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-pyridyl)acetamid N-[(5R)-2-(4-hydroxy-1-piperidyl…

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) 0.48 -6.41 -16.85 2 7 0 91 395.507 4 ↓
Lo Low (pH 4.5-6) 0.48 -6.33 -38.13 3 7 1 92 396.515 4 ↓

Analogs

11821833
11821833

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-2-(4-hydroxy-1-piperidyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-pyridyl)acetamid N-[(5S)-2-(4-hydroxy-1-piperidyl…

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) 0.48 -6.41 -15.81 2 7 0 91 395.507 4 ↓
Lo Low (pH 4.5-6) 0.48 -6.32 -38.68 3 7 1 92 396.515 4 ↓

Parameters Provided:

ring.id = 54444
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 = 54444 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=54444&filter.purchasability=annotated

Embed Link to Results