UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21741240
21741240
24511051
24511051
28811694
28811694

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-ethylphenyl)-2-oxo-ethyl] [2-(4-ethylphenyl)-2-oxo-ethyl]

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) 3.21 10.57 -28.5 1 7 0 102 442.537 12 ↓

Analogs

20896075
20896075

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] [2-oxo-2-(2,4,5-trimethylphenyl)…

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) 3.49 10.74 -27.76 1 7 0 102 456.564 11 ↓

Analogs

20889089
20889089

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] [2-(2,5-dimethylphenyl)-2-oxo-et…

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) 3.12 10.42 -25.49 1 7 0 102 442.537 11 ↓

Analogs

20896084
20896084
23589901
23589901
23589904
23589904

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] [(1R)-2-(4-ethylphenyl)-1-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) 3.57 11.09 -28.13 1 7 0 102 456.564 12 ↓

Analogs

23589901
23589901
23589904
23589904
20896081
20896081

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] [(1S)-2-(4-ethylphenyl)-1-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) 3.57 11.1 -25.85 1 7 0 102 456.564 12 ↓

Parameters Provided:

ring.id = 75622
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 = 75622 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=75622&filter.purchasability=annotated

Embed Link to Results