UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propyl]imidazolidine-2,4-dione 3-[3-[6-(trifluoromethoxy)-3,4-d…

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) 2.63 5.47 -11.4 1 6 0 62 357.332 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(6-isopropyl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione 3-[3-(6-isopropyl-3,4-dihydro-2H…

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) 3.17 7.59 -10.89 1 5 0 53 315.417 5 ↓
Lo Low (pH 4.5-6) 3.17 7.95 -36.25 2 5 1 54 316.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione 3-[3-(6-bromo-3,4-dihydro-2H-qui…

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) 2.47 6.29 -10.87 1 5 0 53 352.232 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[3-(3,4-dihydro-2H-quinolin-1-…

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) 2.49 7.07 -9.83 1 5 0 53 301.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-3-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]imidazolidine-2,4-dione 5,5-dimethyl-3-[3-(6-methyl-3,4-…

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) 2.92 7.73 -9.62 1 5 0 53 315.417 4 ↓

Parameters Provided:

ring.id = 161750
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 = 161750 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=161750&filter.purchasability=annotated

Embed Link to Results