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

Analogs

51183297
51183297
51183298
51183298
51183299
51183299
51183300
51183300
35765414
35765414

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) 2.58 6.29 -44.38 3 3 1 44 263.405 5
Mid Mid (pH 6-8) 2.58 7.76 -27.7 3 3 1 44 263.405 5

Analogs

51183297
51183297
51183298
51183298
51183299
51183299
51183300
51183300
35765414
35765414

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) 2.58 6.19 -47.01 3 3 1 44 263.405 5
Mid Mid (pH 6-8) 2.58 8.26 -27.49 3 3 1 44 263.405 5

Analogs

51183297
51183297
51183298
51183298
51183299
51183299
51183300
51183300
35765414
35765414

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) 2.58 6.36 -39.51 3 3 1 44 263.405 5
Mid Mid (pH 6-8) 2.58 7.75 -27.48 3 3 1 44 263.405 5

Analogs

51183297
51183297
51183298
51183298
51183299
51183299
51183300
51183300
35765414
35765414

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) 2.58 6.17 -46.8 3 3 1 44 263.405 5
Mid Mid (pH 6-8) 2.58 7.8 -28.62 3 3 1 44 263.405 5

Parameters Provided:

ring.id = 139685
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 = 139685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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