UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25536335
25536335
25536340
25536340

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(1-methylene-3-oxo-isoindolin-2-yl)propanamide (2S)-N-[(2-hydroxyphenyl)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) 2.98 8.29 -21.31 1 5 0 63 336.391 4 ↓
Hi High (pH 8-9.5) 2.98 9.05 -52.45 0 5 -1 65 335.383 4 ↓

Analogs

25536335
25536335
25536340
25536340

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2-hydroxyphenyl)methyl]-N-methyl-2-(1-methylene-3-oxo-isoindolin-2-yl)propanamide (2R)-N-[(2-hydroxyphenyl)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) 2.98 8.67 -22.53 1 5 0 63 336.391 4 ↓
Hi High (pH 8-9.5) 2.98 9.42 -55.38 0 5 -1 65 335.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-(1-methylene-3-oxo-isoindolin-2-yl)-N-[(3-nitrophenyl)methyl]acetamide N-allyl-2-(1-methylene-3-oxo-iso…

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) 3.26 12.22 -28.24 0 7 0 88 377.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 3.08 12.36 -20.66 0 6 0 69 396.418 8 ↓

Parameters Provided:

ring.id = 113791
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 = 113791 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=113791&filter.purchasability=annotated

Embed Link to Results