UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8382313
8382313
8382314
8382314

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) 1.15 7.88 -35.19 1 10 0 118 414.399 5
Hi High (pH 8-9.5) 1.61 6.79 -62.27 0 10 -1 121 413.391 5

Analogs

8382313
8382313
8382314
8382314

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) 1.15 7.78 -25.15 1 10 0 118 414.399 5
Hi High (pH 8-9.5) 1.61 5.72 -54.69 0 10 -1 121 413.391 5

Analogs

8382313
8382313
8382314
8382314

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) 1.15 8.37 -41.4 1 10 0 118 414.399 5
Hi High (pH 8-9.5) 1.61 7.27 -63.18 0 10 -1 121 413.391 5

Analogs

8382313
8382313
8382314
8382314

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) 1.15 7.93 -30.95 1 10 0 118 414.399 5
Hi High (pH 8-9.5) 1.61 5.87 -64.74 0 10 -1 121 413.391 5

Parameters Provided:

ring.id = 145335
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 = 145335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

Embed Link to Results