UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33679312
33679312
33679313
33679313
4374001
4374001
4374004
4374004
4375353
4375353

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-thiazol-2-yl-acetamide 2-[(3aS,5R,7aR)-1,3-dioxo-5-phen…

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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) 2.55 8.51 -22.07 1 6 0 79 369.446 4 ↓
Hi High (pH 8-9.5) 2.37 7.11 -56.54 0 6 -1 86 368.438 4 ↓

Analogs

33679312
33679312
33679313
33679313
4374001
4374001
4374004
4374004
4375353
4375353

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3aS,5S,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-thiazol-2-yl-acetamide 2-[(3aS,5S,7aR)-1,3-dioxo-5-phen…

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) 2.55 8.47 -21.57 1 6 0 79 369.446 4 ↓
Hi High (pH 8-9.5) 2.37 7.13 -55.53 0 6 -1 86 368.438 4 ↓

Parameters Provided:

ring.id = 42072
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 = 42072 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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