UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38573699
38573699
39314914
39314914

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxybenzoyl)BLAHone (4-methoxybenzoyl)BLAHone

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) 2.56 8.71 -32.01 1 6 0 66 404.442 3 ↓
Hi High (pH 8-9.5) 2.56 9.3 -17.89 0 6 0 65 403.434 3 ↓

Analogs

39314914
39314914
38573698
38573698

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methoxybenzoyl)BLAHone (4-methoxybenzoyl)BLAHone

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) 2.56 8.83 -22.53 1 6 0 66 404.442 3 ↓
Hi High (pH 8-9.5) 2.56 8.99 -9.76 0 6 0 65 403.434 3 ↓

Parameters Provided:

ring.id = 591477
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 = 591477 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=591477&filter.purchasability=annotated

Embed Link to Results