Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_m97h1d6btmehiubvvoitn7ejn4, 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

38524424
38524424
49475158
49475158
49475160
49475160
49475162
49475162
49475164
49475164

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1-phenylcyclobutanecarbonyl)piperidine-3-carboxylic (3S)-1-(1-phenylcyclobutanecarbo…

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) 2.02 9.42 -54.82 0 4 -1 60 286.351 3 ↓

Analogs

38524424
38524424
49475158
49475158
49475160
49475160
49475162
49475162
49475164
49475164

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1-phenylcyclobutanecarbonyl)piperidine-3-carboxylic (3R)-1-(1-phenylcyclobutanecarbo…

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) 2.02 9.06 -54.27 0 4 -1 60 286.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(3,5-dimethylphenyl)cyclobutanecarbonyl]piperidine-4-carboxamide 1-[1-(3,5-dimethylphenyl)cyclobu…

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 6.59 -12.28 2 4 0 63 314.429 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-[1-(3-chlorophenyl)cyclobutanecarbonyl]-3-piperidyl]propanamide N-[(3R)-1-[1-(3-chlorophenyl)cyc…

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 8.23 -18.28 1 4 0 49 348.874 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-[1-(3-chlorophenyl)cyclobutanecarbonyl]-3-piperidyl]propanamide N-[(3S)-1-[1-(3-chlorophenyl)cyc…

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 8.19 -15.1 1 4 0 49 348.874 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[1-(1-phenylcyclobutanecarbonyl)-4-piperidyl]ethanesulfonamide N-methyl-N-[1-(1-phenylcyclobuta…

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) 2.17 7.15 -17.16 0 5 0 58 364.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[1-(1-phenylcyclobutanecarbonyl)-4-piperidyl]methanesulfonamide N-ethyl-N-[1-(1-phenylcyclobutan…

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) 2.17 6.99 -17.91 0 5 0 58 364.511 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1-phenylcyclobutyl)-(1-piperidyl)methanone (1-phenylcyclobutyl)-(1-piperidy…

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) 2.91 8.62 -7.91 0 2 0 20 243.35 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(2-methoxyphenyl)cyclobutanecarbonyl]piperidine-4-carboxamide 1-[1-(2-methoxyphenyl)cyclobutan…

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) 1.52 4.65 -15.87 2 5 0 73 316.401 4 ↓

Analogs

42725933
42725933

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidine-4-carboxamide 1-[1-(4-fluorophenyl)cyclobutane…

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) 1.67 5.26 -12.74 2 4 0 63 304.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidine-3-carboxamide (3S)-1-[1-(4-chlorophenyl)cyclob…

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) 2.19 6.08 -14.92 2 4 0 63 320.82 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidine-3-carboxamide (3R)-1-[1-(4-chlorophenyl)cyclob…

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) 2.19 5.68 -15.39 2 4 0 63 320.82 3 ↓

Parameters Provided:

ring.id = 128119
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 = 128119 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=128119&filter.purchasability=annotated

Embed Link to Results