Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_sjkevtqdas9onshj3tguuqeth4, 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: 1-cyclopentyl-2-(2,4,6-trimethylphenyl)ethanone 1-cyclopentyl-2-(2,4,6-trimethyl…

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) 4.27 10.24 -7.39 0 1 0 17 230.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-chloro-4-fluoro-phenyl)-3-cyclopentyl-3-oxo-propanenitrile (2S)-2-(2-chloro-4-fluoro-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) 3.41 9.21 -5.55 0 2 0 41 265.715 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-chloro-4-fluoro-phenyl)-3-cyclopentyl-3-oxo-propanenitrile (2R)-2-(2-chloro-4-fluoro-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) 3.41 9.21 -5.74 0 2 0 41 265.715 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-2-methyl-2-phenyl-propan-1-one 1-cyclopentyl-2-methyl-2-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) 4.04 9.14 -6.67 0 1 0 17 216.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-2-ethyl-2-phenyl-butan-1-one 1-cyclopentyl-2-ethyl-2-phenyl-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) 3.52 9.91 -6.23 0 1 0 17 244.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-cyclopentyl-4-oxo-3-phenyl-butanenitrile (3R)-4-cyclopentyl-4-oxo-3-pheny…

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) 2.79 9.27 -7.52 0 2 0 41 227.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-cyclopentyl-4-oxo-3-phenyl-butanenitrile (3S)-4-cyclopentyl-4-oxo-3-pheny…

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) 2.79 9.4 -10.06 0 2 0 41 227.307 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-2-(2,5-dimethylphenyl)ethanone 1-cyclopentyl-2-(2,5-dimethylphe…

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) 3.89 9.73 -7.08 0 1 0 17 216.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-2-(3,5-difluorophenyl)ethanone 1-cyclopentyl-2-(3,5-difluorophe…

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) 3.32 8.67 -7.91 0 1 0 17 224.25 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-cyclopentyl-2-(3,5-difluorophenyl)-3-oxo-propanenitrile (2S)-3-cyclopentyl-2-(3,5-difluo…

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) 3.37 8.87 -10.52 0 2 0 41 249.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-cyclopentyl-2-(3,5-difluorophenyl)-3-oxo-propanenitrile (2R)-3-cyclopentyl-2-(3,5-difluo…

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) 3.37 8.86 -11.03 0 2 0 41 249.26 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-6-fluoro-phenyl)-1-cyclopentyl-ethanone 2-(2-chloro-6-fluoro-phenyl)-1-c…

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) 3.82 8.98 -6.49 0 1 0 17 240.705 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-2-(2-nitrophenyl)ethanone 1-cyclopentyl-2-(2-nitrophenyl)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) 2.98 8.97 -11.74 0 4 0 63 233.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-2-(4-methoxyphenyl)ethanone 1-cyclopentyl-2-(4-methoxyphenyl…

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) 3.13 7.83 -8.53 0 2 0 26 218.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-2-(4-nitrophenyl)ethanone 1-cyclopentyl-2-(4-nitrophenyl)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) 3.03 9.25 -11.83 0 4 0 63 233.267 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-2-(3-methoxyphenyl)ethanone 1-cyclopentyl-2-(3-methoxyphenyl…

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) 3.10 7.83 -8.73 0 2 0 26 218.296 4 ↓

Analogs

43456245
43456245
43456247
43456247
60710706
60710706
60710710
60710710

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-2-(2-methoxyphenyl)ethanone 1-cyclopentyl-2-(2-methoxyphenyl…

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 7.89 -7.91 0 2 0 26 218.296 4 ↓

Parameters Provided:

ring.id = 39193
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 = 39193 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=39193&filter.purchasability=annotated

Embed Link to Results