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

Analogs

48235812
48235812
48235813
48235813
48235814
48235814
48235815
48235815
48235844
48235844

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) 2.53 6.97 -16.1 1 7 0 71 423.513 9
Mid Mid (pH 6-8) 2.53 9.25 -52.08 2 7 1 72 424.521 9

Analogs

48235812
48235812
48235813
48235813
48235814
48235814
48235815
48235815
48235844
48235844

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) 2.53 7.19 -17.86 1 7 0 71 423.513 9
Mid Mid (pH 6-8) 2.53 9.47 -52.79 2 7 1 72 424.521 9

Analogs

48235812
48235812
48235813
48235813
48235814
48235814
48235815
48235815
48235844
48235844

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) 2.53 6.59 -17.88 1 7 0 71 423.513 9
Mid Mid (pH 6-8) 2.53 8.86 -52.94 2 7 1 72 424.521 9

Analogs

48235812
48235812
48235813
48235813
48235814
48235814
48235815
48235815
48235844
48235844

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) 2.53 7.27 -16.26 1 7 0 71 423.513 9
Mid Mid (pH 6-8) 2.53 9.54 -51.99 2 7 1 72 424.521 9

Parameters Provided:

ring.id = 603774
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 = 603774 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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