UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43021962
43021962
43024757
43024757
43076901
43076901
43076904
43076904
29502246
29502246

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) 0.96 5.25 -38.36 1 6 1 65 261.305 3
Hi High (pH 8-9.5) 0.96 2.71 -7.81 0 6 0 64 260.297 3

Analogs

43021962
43021962
43024757
43024757
43076901
43076901
43076904
43076904
29502298
29502298

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) 1.20 5.55 -38.16 1 6 1 65 275.332 3
Hi High (pH 8-9.5) 1.20 3.06 -7.52 0 6 0 64 274.324 3

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) 1.20 5.85 -38.49 1 6 1 65 275.332 3
Hi High (pH 8-9.5) 1.20 3.29 -7.66 0 6 0 64 274.324 3

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) 1.20 5.57 -39.02 1 6 1 65 275.332 3
Hi High (pH 8-9.5) 1.20 3.08 -7.66 0 6 0 64 274.324 3

Parameters Provided:

ring.id = 13762
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 = 13762 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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