UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-allyl-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)pyrrolidin-2-one (4R)-1-allyl-4-(3,7-dimethyl-3,7…

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) 0.81 6.35 -54.21 1 6 1 48 349.499 3 ↓
Lo Low (pH 4.5-6) 0.81 8.6 -122.05 2 6 2 49 350.507 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-allyl-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane-11-carbonyl)pyrrolidin-2-one (4S)-1-allyl-4-(3,7-dimethyl-3,7…

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) 0.81 6.35 -53.82 1 6 1 48 349.499 3 ↓
Lo Low (pH 4.5-6) 0.81 8.6 -124.32 2 6 2 49 350.507 3 ↓

Parameters Provided:

ring.id = 599010
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 = 599010 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=599010&filter.purchasability=annotated

Embed Link to Results