UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-aminophenyl)ethyl]-3-methyl-imidazolidine-2,4,5-trione 1-[2-(2-aminophenyl)ethyl]-3-met…

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) -0.19 3.59 -6.29 2 6 0 87 247.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2,4,5-trioxo-imidazolidin-1-yl]acetamide N-isopropyl-2-[3-[2-(4-methoxyph…

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) 0.21 5.47 -14.41 1 8 0 99 347.371 7 ↓

Analogs

15569488
15569488
6590842
6590842

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2,4,5-trioxoimidazolidin-1-yl)ethyl]benzenesulfonamide 4-[2-(2,4,5-trioxoimidazolidin-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) -1.00 -1.81 -14.8 3 8 0 132 297.292 4 ↓
Mid Mid (pH 6-8) -0.54 -4.47 -40.76 2 8 -1 135 296.284 4 ↓

Parameters Provided:

ring.id = 35432
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 = 35432 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=35432&filter.purchasability=annotated

Embed Link to Results