UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

17022608
17022608

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-(2-pyridylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one (6Z)-6-(2-pyridylmethylene)-8,9-…

Find On: PubMed — Wikipedia — Google

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) 3.18 9.93 -11.51 0 2 0 30 249.313 1 ↓
Lo Low (pH 4.5-6) 3.18 9.93 -28.62 1 2 1 31 250.321 1 ↓

Analogs

17022611
17022611

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-(3-pyridylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one (6Z)-6-(3-pyridylmethylene)-8,9-…

Find On: PubMed — Wikipedia — Google

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) 3.11 8.53 -10.49 0 2 0 30 249.313 1 ↓
Lo Low (pH 4.5-6) 3.11 8.84 -34.84 1 2 1 31 250.321 1 ↓

Parameters Provided:

ring.id = 133141
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 = 133141 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=133141&filter.purchasability=annotated

Embed Link to Results