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

Analogs

48331738
48331738
48331739
48331739
48687293
48687293
48687295
48687295

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) 2.19 4.73 -53.46 4 4 1 64 262.377 2
Mid Mid (pH 6-8) 2.19 4.59 -8.85 3 4 0 62 261.369 2

Analogs

48331738
48331738
48331739
48331739
48687293
48687293
48687295
48687295

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) 2.19 4.56 -53.16 4 4 1 64 262.377 2
Mid Mid (pH 6-8) 2.19 4.45 -8.96 3 4 0 62 261.369 2

Analogs

48331738
48331738
48331739
48331739
48687211
48687211
48687213
48687213
48687293
48687293

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) 0.98 4.72 -48.69 4 4 1 64 262.377 2

Analogs

48331738
48331738
48331739
48331739
48687211
48687211
48687213
48687213
48687293
48687293

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) 0.98 4.86 -54.79 4 4 1 64 262.377 2

Analogs

48331738
48331738
48331739
48331739
48687211
48687211
48687213
48687213
48687293
48687293

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) 2.20 7.94 -63.55 1 5 -1 76 289.355 3
Lo Low (pH 4.5-6) 2.20 6.65 -14.72 2 5 0 73 290.363 3

Analogs

48331738
48331738
48331739
48331739
48687211
48687211
48687213
48687213
48687293
48687293

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) 2.20 7.82 -58.82 1 5 -1 76 289.355 3
Lo Low (pH 4.5-6) 2.20 6.38 -12.2 2 5 0 73 290.363 3

Analogs

48331738
48331738
48331739
48331739
48687211
48687211
48687213
48687213
48687293
48687293

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) 2.20 8.95 -54.43 1 5 -1 76 289.355 3
Lo Low (pH 4.5-6) 2.20 6.19 -11.79 2 5 0 73 290.363 3

Analogs

48331738
48331738
48331739
48331739
48687211
48687211
48687213
48687213
48687293
48687293

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) 2.20 8.73 -62.82 1 5 -1 76 289.355 3
Lo Low (pH 4.5-6) 2.20 6.72 -14.7 2 5 0 73 290.363 3

Parameters Provided:

ring.id = 213207
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 = 213207 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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