UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-naphthyl)-2-(oxo-phenyl-BLAHyl)acetamide N-(1-naphthyl)-2-(oxo-phenyl-BLA…

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) 3.88 12.66 -14.24 1 7 0 82 453.527 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-naphthyl)-2-(oxo-phenyl-BLAHyl)acetamide N-(1-naphthyl)-2-(oxo-phenyl-BLA…

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) 3.88 12.64 -14.46 1 7 0 82 453.527 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(m-tolyl-oxo-BLAHyl)-N-(1-naphthyl)acetamide 2-(m-tolyl-oxo-BLAHyl)-N-(1-naph…

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) 4.51 13.32 -14.72 1 7 0 82 467.554 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(m-tolyl-oxo-BLAHyl)-N-(1-naphthyl)acetamide 2-(m-tolyl-oxo-BLAHyl)-N-(1-naph…

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) 4.51 13.32 -14.13 1 7 0 82 467.554 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-(1-naphthyl)acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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) 4.74 13.18 -14.09 1 7 0 82 487.972 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-(1-naphthyl)acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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) 4.74 13.17 -13.54 1 7 0 82 487.972 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-(1-naphthyl)acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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) 4.55 13.18 -12.91 1 7 0 82 487.972 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-(1-naphthyl)acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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) 4.55 13.18 -12.34 1 7 0 82 487.972 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-(1-naphthyl)acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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) 4.04 12.72 -13.17 1 7 0 82 471.517 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-(1-naphthyl)acetamide 2-[(4-fluorophenyl)-oxo-BLAHyl]-…

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) 4.04 12.73 -12.55 1 7 0 82 471.517 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-(1-naphthyl)acetamide 2-[(3,4-dimethylphenyl)-oxo-BLAH…

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) 4.91 13.84 -14.47 1 7 0 82 481.581 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-(1-naphthyl)acetamide 2-[(3,4-dimethylphenyl)-oxo-BLAH…

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) 4.91 13.86 -14.2 1 7 0 82 481.581 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethylphenyl)-oxo-BLAHyl]-N-(1-naphthyl)acetamide 2-[(2,4-dimethylphenyl)-oxo-BLAH…

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) 4.91 14.17 -14.02 1 7 0 82 481.581 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethylphenyl)-oxo-BLAHyl]-N-(1-naphthyl)acetamide 2-[(2,4-dimethylphenyl)-oxo-BLAH…

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) 4.91 14.17 -14 1 7 0 82 481.581 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-naphthyl)-2-[oxo-(p-tolyl)BLAHyl]acetamide N-(1-naphthyl)-2-[oxo-(p-tolyl)B…

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) 4.32 13.31 -14.24 1 7 0 82 467.554 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-naphthyl)-2-[oxo-(p-tolyl)BLAHyl]acetamide N-(1-naphthyl)-2-[oxo-(p-tolyl)B…

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) 4.32 13.33 -13.89 1 7 0 82 467.554 4 ↓

Parameters Provided:

ring.id = 229362
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 = 229362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=229362&filter.purchasability=annotated

Embed Link to Results