UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33704877
33704877
33704879
33704879

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(E,1S)-1,5-dimethyl-6-oxo-hex-4-enyl]-dimethyl-methylene-oxo-BLAHyl]propanoic 3-[[(E,1S)-1,5-dimethyl-6-oxo-he…

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) 4.94 14.08 -53.73 0 5 -1 84 481.653 8 ↓

Analogs

33704877
33704877
33704879
33704879

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(E,1R)-1,5-dimethyl-6-oxo-hex-4-enyl]-dimethyl-methylene-oxo-BLAHyl]propanoic 3-[[(E,1R)-1,5-dimethyl-6-oxo-he…

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) 4.94 14.12 -50.8 0 5 -1 84 481.653 8 ↓

Analogs

32139522
32139522

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 6.04 16.02 -10.76 0 4 0 53 482.705 8 ↓

Analogs

32139522
32139522

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 6.04 16 -9.24 0 4 0 53 482.705 8 ↓

Parameters Provided:

ring.id = 136475
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 = 136475 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=136475&filter.purchasability=annotated

Embed Link to Results