UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 1.77 4.99 -85.58 3 3 2 24 241.423 3
Hi High (pH 8-9.5) 1.77 3.06 -37.2 2 3 1 23 240.415 3
Hi High (pH 8-9.5) 1.77 1.9 -0.67 1 3 0 19 239.407 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) 1.77 4.99 -85.83 3 3 2 24 241.423 3
Hi High (pH 8-9.5) 1.77 1.82 -0.67 1 3 0 19 239.407 3
Hi High (pH 8-9.5) 1.77 3.7 -30.47 2 3 1 20 240.415 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) 1.77 5.13 -86.08 3 3 2 24 241.423 3
Hi High (pH 8-9.5) 1.77 1.91 -0.66 1 3 0 19 239.407 3
Hi High (pH 8-9.5) 1.77 3.85 -29.63 2 3 1 20 240.415 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) 1.77 5.13 -85.9 3 3 2 24 241.423 3
Hi High (pH 8-9.5) 1.77 3.23 -38.53 2 3 1 23 240.415 3
Hi High (pH 8-9.5) 1.77 1.96 -0.61 1 3 0 19 239.407 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) 1.69 5.32 -87.39 3 3 2 24 241.423 3
Hi High (pH 8-9.5) 1.69 4.05 -32.35 2 3 1 20 240.415 3
Hi High (pH 8-9.5) 1.69 3.36 -37.39 2 3 1 23 240.415 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) 1.69 5.45 -87.95 3 3 2 24 241.423 3
Hi High (pH 8-9.5) 1.69 3.47 -38.74 2 3 1 23 240.415 3
Hi High (pH 8-9.5) 1.69 4.23 -31.51 2 3 1 20 240.415 3

Parameters Provided:

ring.id = 393930
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 = 393930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

Embed Link to Results