UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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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) 0.70 8.04 -68.28 1 5 0 62 267.354 4
Hi High (pH 8-9.5) 0.70 5.61 -46.61 0 5 -1 61 266.346 4
Lo Low (pH 4.5-6) 0.70 8.52 -86.46 2 5 1 64 268.362 4

Analogs

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) 0.70 8.05 -70.17 1 5 0 62 267.354 4
Hi High (pH 8-9.5) 0.70 5.54 -44.97 0 5 -1 61 266.346 4
Lo Low (pH 4.5-6) 0.70 8.53 -89.05 2 5 1 64 268.362 4

Parameters Provided:

ring.id = 589338
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 = 589338 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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