UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2797242
2797242
2801737
2801737

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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) 5.54 -1.43 -11.1 1 4 0 58 340.382 4

Analogs

3260478
3260478
2792926
2792926

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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) 5.70 10.46 -10.18 0 4 0 42 367.452 5
Lo Low (pH 4.5-6) 5.70 10.11 -40.11 1 4 1 43 368.46 5
Lo Low (pH 4.5-6) 5.70 10.8 -37.46 1 4 1 43 368.46 5

Parameters Provided:

ring.id = 237926
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 = 237926 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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