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

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) 4.47 12.31 -46.13 2 6 1 63 470.659 8
Hi High (pH 8-9.5) 4.47 10.1 -11.34 1 6 0 62 469.651 8
Lo Low (pH 4.5-6) 4.47 14.69 -92.71 3 6 2 64 471.667 8

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) 4.47 12.5 -45.72 2 6 1 63 470.659 8
Hi High (pH 8-9.5) 4.47 10.67 -11.31 1 6 0 62 469.651 8
Lo Low (pH 4.5-6) 4.47 14.83 -92.32 3 6 2 64 471.667 8

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) 4.47 12.51 -45.03 2 6 1 63 470.659 8
Hi High (pH 8-9.5) 4.47 10.67 -10.84 1 6 0 62 469.651 8
Lo Low (pH 4.5-6) 4.47 14.84 -92.09 3 6 2 64 471.667 8

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) 2.35 7.78 -59.91 4 8 1 106 485.63 9
Hi High (pH 8-9.5) 2.35 5.57 -22.62 3 8 0 105 484.622 9
Lo Low (pH 4.5-6) 2.35 10.16 -105 5 8 2 107 486.638 9

Parameters Provided:

ring.id = 111085
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 = 111085 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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