UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42781926
42781926
42781927
42781927
3888918
3888918
3888919
3888919

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) 2.42 6.74 -33.2 2 3 1 26 233.335 4
Hi High (pH 8-9.5) 2.42 4.57 -5.11 1 3 0 24 232.327 4

Analogs

42781926
42781926
42781927
42781927
3888918
3888918
3888919
3888919

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) 2.42 6.84 -33.54 2 3 1 26 233.335 4
Hi High (pH 8-9.5) 2.42 4.71 -4.18 1 3 0 24 232.327 4

Analogs

42781926
42781926
42781927
42781927
3888918
3888918
3888919
3888919

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) 2.05 6.02 -34.62 2 3 1 26 219.308 3
Hi High (pH 8-9.5) 2.05 3.75 -5.49 1 3 0 24 218.3 3

Analogs

42781926
42781926
42781927
42781927
3888918
3888918
3888919
3888919

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) 2.05 6.09 -33.94 2 3 1 26 219.308 3
Hi High (pH 8-9.5) 2.05 3.78 -5.49 1 3 0 24 218.3 3

Analogs

42781926
42781926
42781927
42781927

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) 2.93 7.45 -33.79 2 3 1 26 247.362 5
Hi High (pH 8-9.5) 2.93 5.32 -4.96 1 3 0 24 246.354 5

Analogs

42781926
42781926
42781927
42781927
3888918
3888918
3888919
3888919

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) 2.93 7.54 -34.03 2 3 1 26 247.362 5
Hi High (pH 8-9.5) 2.93 5.46 -4 1 3 0 24 246.354 5

Parameters Provided:

ring.id = 138078
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 = 138078 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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