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

Analogs

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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) 6.04 8.23 -94.95 1 8 -2 126 588.494 8
Mid Mid (pH 6-8) 6.04 8.15 -52.42 2 8 -1 124 589.502 8
Mid Mid (pH 6-8) 6.04 8.16 -48.32 2 8 -1 124 589.502 8

Analogs

30756828
30756828

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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) 5.77 8.55 -53.44 2 8 -1 124 569.084 8
Hi High (pH 8-9.5) 5.77 8.75 -97.85 1 8 -2 126 568.076 8
Mid Mid (pH 6-8) 5.77 8.51 -23.61 3 8 0 121 570.092 8

Analogs

44839077
44839077

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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) 5.02 6.23 -49.59 2 9 -1 133 571.056 9
Hi High (pH 8-9.5) 5.02 6.27 -94.13 1 9 -2 135 570.048 9
Mid Mid (pH 6-8) 5.02 6.15 -22.14 3 9 0 131 572.064 9

Parameters Provided:

ring.id = 196831
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 = 196831 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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