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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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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) 0.52 5.33 -80.8 4 4 2 46 210.325 5
Mid Mid (pH 6-8) 0.52 4.86 -30.44 3 4 1 45 209.317 5
Lo Low (pH 4.5-6) 0.52 6.62 -199.52 5 4 3 51 211.333 5

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) 0.52 4.63 -79.65 4 4 2 46 210.325 5
Mid Mid (pH 6-8) 0.52 4.16 -33.48 3 4 1 45 209.317 5
Lo Low (pH 4.5-6) 0.52 5.96 -193.86 5 4 3 51 211.333 5

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) 0.74 5.13 -78.81 4 4 2 46 224.352 5
Mid Mid (pH 6-8) 0.74 4.62 -34.69 3 4 1 45 223.344 5
Lo Low (pH 4.5-6) 0.74 6.5 -193.25 5 4 3 51 225.36 5

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) 0.74 5.8 -81.09 4 4 2 46 224.352 5
Mid Mid (pH 6-8) 0.74 5.29 -33.74 3 4 1 45 223.344 5
Lo Low (pH 4.5-6) 0.74 7.2 -197.99 5 4 3 51 225.36 5

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) 0.61 5.13 -77.45 4 4 2 46 224.352 5
Mid Mid (pH 6-8) 0.61 4.72 -30.38 3 4 1 45 223.344 5
Lo Low (pH 4.5-6) 0.61 6.43 -198.06 5 4 3 51 225.36 5

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) 0.61 5.06 -78.17 4 4 2 46 224.352 5
Mid Mid (pH 6-8) 0.61 4.65 -30.01 3 4 1 45 223.344 5
Lo Low (pH 4.5-6) 0.61 6.46 -197.37 5 4 3 51 225.36 5

Parameters Provided:

ring.id = 152521
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 = 152521 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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