UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33763571
33763571

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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) 2.36 6.18 -56.7 1 7 -1 95 397.461 4
Lo Low (pH 4.5-6) 1.90 8.21 -15.15 2 7 0 92 398.469 4

Analogs

33763571
33763571

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) 2.36 6.41 -57.07 1 7 -1 95 397.461 4
Ref Reference (pH 7) 2.36 6.28 -59.67 1 7 -1 95 397.461 4
Lo Low (pH 4.5-6) 1.90 8.2 -17.55 2 7 0 92 398.469 4

Parameters Provided:

ring.id = 147461
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 = 147461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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