UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9730667
9730667
9730668
9730668

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(benzylamino)-2-isopentyl-isoindolin-1-one (3R)-3-(benzylamino)-2-isopentyl…

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) 3.97 9.54 -9.46 1 3 0 32 308.425 6 ↓

Analogs

9730667
9730667
9730668
9730668

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(benzylamino)-2-isopentyl-isoindolin-1-one (3S)-3-(benzylamino)-2-isopentyl…

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) 3.97 9.57 -11.97 1 3 0 32 308.425 6 ↓
Mid Mid (pH 6-8) 3.97 10.91 -53.65 2 3 1 37 309.433 6 ↓

Parameters Provided:

ring.id = 26093
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 = 26093 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=26093&filter.purchasability=annotated

Embed Link to Results