UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44899166
44899166
49443475
49443475
49480724
49480724
14187240
14187240
15335084
15335084

Draw Identity 99% 90% 80% 70%

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) -1.35 5.52 -22.79 0 9 0 99 341.393 6
Mid Mid (pH 6-8) -1.35 6.04 -51.68 1 9 1 100 342.401 6

Analogs

5055909
5055909

Draw Identity 99% 90% 80% 70%

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) -1.13 6.21 -23.19 0 9 0 99 355.42 6
Mid Mid (pH 6-8) -1.13 6.72 -52.05 1 9 1 100 356.428 6

Parameters Provided:

ring.id = 99858
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 = 99858 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

Embed Link to Results