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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9008233
9008233
9043299
9043299
9068567
9068567
9175607
9175607
8817743
8817743

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) 3.77 9.85 -53.57 0 6 -1 83 437.472 5
Mid Mid (pH 6-8) 3.19 10.2 -14.56 0 6 0 77 438.48 5
Mid Mid (pH 6-8) 3.77 9.8 -15.83 1 6 0 80 438.48 5

Analogs

8904821
8904821

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) 4.62 10.36 -55.9 0 5 -1 73 474.743 4
Mid Mid (pH 6-8) 4.03 10.62 -13.53 0 5 0 67 475.751 4
Mid Mid (pH 6-8) 5.06 9.71 -22.25 1 5 0 71 475.751 3

Parameters Provided:

ring.id = 6304
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 = 6304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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