UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2,5-diethylphenyl)-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-(2,5-diethylphenyl)-2-oxo-e…

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) 5.01 10.85 -11.46 1 5 0 66 358.482 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-(4-ethoxyphenyl)-2-oxo-ethy…

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) 3.69 8.22 -13.62 1 6 0 76 346.427 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-methoxyphenyl)-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-(2-methoxyphenyl)-2-oxo-eth…

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) 3.27 8.53 -16.61 1 6 0 76 332.4 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-methoxyphenyl)-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-(3-methoxyphenyl)-2-oxo-eth…

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) 3.29 7.28 -16.14 1 6 0 76 332.4 8 ↓

Analogs

8939230
8939230
8939237
8939237
8939243
8939243
8939248
8939248

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-(3-bromo-4-methoxy-phenyl)-…

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) 4.05 7.97 -15.9 1 6 0 76 411.296 8 ↓

Analogs

3459363
3459363
3459382
3459382

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-oxo-2-(2,3,4,5-tetramethylp…

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) 4.84 10.3 -12.79 1 5 0 66 358.482 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-oxo-2-[3-(trifluoromethyl)p…

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) 4.13 8.99 -15.34 1 5 0 66 370.371 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5R)-3-[2-(3,4-dichlorophenyl)-2…

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) 3.69 8.07 -13.16 1 5 0 66 357.237 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]-5-isobutyl-5-methyl-imidazolidine-2,4-dione (5S)-3-[2-(3,4-dichlorophenyl)-2…

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) 3.69 7.62 -13.87 1 5 0 66 357.237 5 ↓

Parameters Provided:

ring.id = 120362
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 = 120362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=120362&filter.purchasability=annotated

Embed Link to Results