Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_hbvc7ve53p5bp5m5qq8q9cu2d4, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-butylphenyl)-2-oxo-ethyl] [2-(4-butylphenyl)-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) 4.35 14.56 -24.11 0 7 0 91 418.449 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] [2-oxo-2-(2,3,4,5-tetramethylphe…

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) 4.07 13.77 -24.09 0 7 0 91 418.449 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] [2-(2,4-dichlorophenyl)-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) 3.77 12.49 -24.94 0 7 0 91 431.231 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] [2-(3-bromo-4-methoxy-phenyl)-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) 3.28 11.54 -25.27 0 8 0 101 471.263 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] [(1S)-2-(4-chlorophenyl)-1-methy…

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) 3.53 12.55 -24.13 0 7 0 91 410.813 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] [(1R)-2-(4-chlorophenyl)-1-methy…

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) 3.53 12.59 -22.77 0 7 0 91 410.813 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] [2-[4-(3-acetamidopropyl)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) 2.33 12.13 -31.57 1 9 0 121 461.474 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] [(1R)-1-methyl-2-[4-(2-methylpro…

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) 3.15 12.43 -27.96 1 9 0 121 461.474 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] [(1S)-1-methyl-2-[4-(2-methylpro…

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) 3.15 12.4 -28.86 1 9 0 121 461.474 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] [2-(2,4-dimethoxyphenyl)-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) 2.53 11.06 -28.04 0 9 0 110 422.393 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] [(1R)-2-(3,4-dimethylphenyl)-1-m…

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) 3.68 13.29 -23.53 0 7 0 91 404.422 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] [(1S)-2-(3,4-dimethylphenyl)-1-m…

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) 3.68 13.25 -25.16 0 7 0 91 404.422 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] [2-(4-methylsulfanylphenyl)-2-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) 2.92 12.56 -24.85 0 7 0 91 408.435 7 ↓

Parameters Provided:

ring.id = 15600
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 = 15600 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15600&filter.purchasability=annotated

Embed Link to Results