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

Analogs

37803530
37803530
37803531
37803531
37803532
37803532
37803533
37803533
37803538
37803538

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) 0.12 5.36 -18.05 0 5 0 50 252.314 2

Analogs

36132955
36132955
36132956
36132956
36132958
36132958
36132960
36132960
36132983
36132983

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) -0.40 6.15 -74.22 0 7 -1 90 295.315 3
Lo Low (pH 4.5-6) -0.40 3.57 -23.71 1 7 0 87 296.323 3

Analogs

36132955
36132955
36132956
36132956
36132958
36132958
36132960
36132960
36132983
36132983

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) -0.40 6.01 -61.75 0 7 -1 90 295.315 3
Lo Low (pH 4.5-6) -0.40 4.19 -22.1 1 7 0 87 296.323 3

Analogs

36132955
36132955
36132956
36132956
36132958
36132958
36132960
36132960
36132983
36132983

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) -0.40 5.58 -59.83 0 7 -1 90 295.315 3
Lo Low (pH 4.5-6) -0.40 3.58 -17.96 1 7 0 87 296.323 3

Analogs

36132955
36132955
36132956
36132956
36132958
36132958
36132960
36132960
36132983
36132983

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) -0.40 5.97 -63.72 0 7 -1 90 295.315 3
Lo Low (pH 4.5-6) -0.40 3.98 -19.95 1 7 0 87 296.323 3

Parameters Provided:

ring.id = 51833
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 = 51833 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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