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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) 1.20 5.99 -59.39 1 6 -1 82 267.268 4
Mid Mid (pH 6-8) 1.20 6.43 -51.68 2 6 0 84 268.276 4
Lo Low (pH 4.5-6) 1.20 6.88 -78.98 3 6 1 85 269.284 4

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) 1.76 6.81 -60.15 1 6 -1 82 281.295 4
Mid Mid (pH 6-8) 1.76 7.25 -51.75 2 6 0 84 282.303 4
Lo Low (pH 4.5-6) 1.76 7.71 -79.24 3 6 1 85 283.311 4

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) 1.76 6.81 -60.16 1 6 -1 82 281.295 4
Mid Mid (pH 6-8) 1.76 7.25 -51.77 2 6 0 84 282.303 4
Lo Low (pH 4.5-6) 1.76 7.71 -79.17 3 6 1 85 283.311 4

Parameters Provided:

ring.id = 614981
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 = 614981 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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