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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) 2.67 3.72 -59.56 1 7 -1 106 370.407 3
Hi High (pH 8-9.5) 1.74 4.52 -113.45 1 7 -1 106 370.407 4
Mid Mid (pH 6-8) 2.67 6.15 -94.28 2 7 0 107 371.415 3

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) 3.82 3.76 -11.8 1 5 0 66 388.312 2
Mid Mid (pH 6-8) 3.82 6.19 -54.33 2 5 1 67 389.32 2
Mid Mid (pH 6-8) 2.89 3.26 -43.32 0 5 -1 64 387.304 3

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) 3.59 4.66 -61.84 3 5 1 79 324.451 2
Mid Mid (pH 6-8) 3.59 3.27 -14.87 2 5 0 74 323.443 2
Mid Mid (pH 6-8) 2.66 4.19 -68.06 2 5 0 78 323.443 3

Parameters Provided:

ring.id = 122393
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 = 122393 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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