UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-(ethyl-oxo-BLAHyl)-acetamide 2-(3,4-dimethoxyphenyl)-N-(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) 3.97 1.27 -19.52 1 7 0 82 432.476 6 ↓

Analogs

9134873
9134873

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-(oxoBLAHyl)-acetamide 2-(4-methoxyphenyl)-N-(oxoBLAHyl…

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 -0.8 -23.95 2 6 0 84 374.396 4 ↓

Analogs

9134923
9134923

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-N-(oxoBLAHyl)-acetamide 2-(4-chlorophenyl)-N-(oxoBLAHyl)…

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) 4.11 -0.96 -22.47 2 5 0 75 378.815 3 ↓

Analogs

9134970
9134970

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-N-(oxoBLAHyl)-acetamide 2-(4-fluorophenyl)-N-(oxoBLAHyl)…

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) 3.60 -0.07 -23.32 2 5 0 75 362.36 3 ↓

Analogs

9134974
9134974

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxyphenyl)-N-(oxoBLAHyl)-acetamide 2-(4-ethoxyphenyl)-N-(oxoBLAHyl)…

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) 3.87 -0.77 -23.72 2 6 0 84 388.423 5 ↓

Analogs

9135033
9135033

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(m-tolyl)-N-(oxoBLAHyl)-acetamide 2-(m-tolyl)-N-(oxoBLAHyl)-acetamide

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) 3.86 -0.49 -22.13 2 5 0 75 358.397 3 ↓

Analogs

9135059
9135059

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-N-(oxoBLAHyl)-acetamide 2-(3,4-dimethoxyphenyl)-N-(oxoBL…

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) 3.08 -0.48 -26.93 2 7 0 93 404.422 5 ↓

Analogs

9134750
9134750

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methoxyphenyl)-N-(methyl-oxo-BLAHyl)-acetamide 2-(4-methoxyphenyl)-N-(methyl-ox…

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) 3.92 -0.46 -22.56 2 6 0 84 388.423 4 ↓

Analogs

9134766
9134766

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-N-(methyl-oxo-BLAHyl)-acetamide 2-(4-chlorophenyl)-N-(methyl-oxo…

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) 4.54 -0.63 -21.06 2 5 0 75 392.842 3 ↓

Analogs

9134793
9134793

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-N-(methyl-oxo-BLAHyl)-acetamide 2-(4-fluorophenyl)-N-(methyl-oxo…

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) 4.02 0.26 -21.84 2 5 0 75 376.387 3 ↓

Analogs

9134800
9134800

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethoxyphenyl)-N-(methyl-oxo-BLAHyl)-acetamide 2-(4-ethoxyphenyl)-N-(methyl-oxo…

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) 4.29 -0.45 -22.45 2 6 0 84 402.45 5 ↓

Parameters Provided:

ring.id = 6606
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 = 6606 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6606&filter.purchasability=annotated

Embed Link to Results