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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) 1.84 8.22 -93.54 3 4 2 43 303.431 6
Hi High (pH 8-9.5) 1.84 5.46 -12.32 1 4 0 41 301.415 6
Mid Mid (pH 6-8) 1.84 7.82 -33.56 2 4 1 42 302.423 6

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) 3.20 10.61 -95.06 2 3 2 23 273.405 4
Hi High (pH 8-9.5) 3.20 8.18 -9.54 0 3 0 21 271.389 4
Mid Mid (pH 6-8) 3.20 10.49 -33.95 1 3 1 22 272.397 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) 3.20 10.94 -94.95 2 3 2 23 273.405 4
Hi High (pH 8-9.5) 3.20 7.87 -10.24 0 3 0 21 271.389 4
Mid Mid (pH 6-8) 3.20 10.16 -35.62 1 3 1 22 272.397 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) 3.54 11.78 -97.33 2 3 2 23 301.459 5
Hi High (pH 8-9.5) 3.54 9.11 -10.45 0 3 0 21 299.443 5
Mid Mid (pH 6-8) 3.54 11.58 -33.12 1 3 1 22 300.451 5

Parameters Provided:

ring.id = 58927
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 = 58927 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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