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

Analogs

41198501
41198501

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) 3.09 8 -28.53 2 2 1 29 271.409 3
Hi High (pH 8-9.5) 3.09 7.12 -4.51 1 2 0 25 270.401 3

Analogs

41198499
41198499

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) 3.09 7.84 -29.01 2 2 1 29 271.409 3
Hi High (pH 8-9.5) 3.09 6.8 -4.32 1 2 0 25 270.401 3

Analogs

41199086
41199086

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) 3.31 8.33 -32.32 2 2 1 29 285.436 3
Hi High (pH 8-9.5) 3.31 7.87 -4.42 1 2 0 25 284.428 3
Lo Low (pH 4.5-6) 3.31 8.73 -94.64 3 2 2 31 286.444 3

Analogs

41199083
41199083

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) 3.31 8.47 -32.74 2 2 1 29 285.436 3
Hi High (pH 8-9.5) 3.31 8.24 -4.16 1 2 0 25 284.428 3
Lo Low (pH 4.5-6) 3.31 8.89 -94.72 3 2 2 31 286.444 3

Analogs

41199581
41199581
41196713
41196713
41196715
41196715

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 9.19 -28.56 2 2 1 29 299.463 3
Hi High (pH 8-9.5) 3.54 8.17 -5.02 1 2 0 25 298.455 3
Lo Low (pH 4.5-6) 3.54 9.48 -92.32 3 2 2 31 300.471 3

Analogs

41196713
41196713
41196715
41196715
41199578
41199578

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 9.34 -28 2 2 1 29 299.463 3
Hi High (pH 8-9.5) 3.54 8.48 -4.98 1 2 0 25 298.455 3
Lo Low (pH 4.5-6) 3.54 9.64 -92.48 3 2 2 31 300.471 3

Parameters Provided:

ring.id = 521555
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 = 521555 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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