Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_4fdjmudqvbsa16sskh10aukd65, 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: (2S)-N-(1-cyanocyclobutyl)-2-(4-methoxyphenyl)sulfanyl-N-methyl-propanamide (2S)-N-(1-cyanocyclobutyl)-2-(4-…

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) 2.66 7.58 -18.69 0 4 0 53 304.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(1-cyanocyclobutyl)-2-(4-methoxyphenyl)sulfanyl-N-methyl-propanamide (2R)-N-(1-cyanocyclobutyl)-2-(4-…

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) 2.66 7.59 -18 0 4 0 53 304.415 5 ↓

Analogs

6351984
6351984
6351986
6351986

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-chlorophenyl)sulfanyl-N-(1-cyanocyclobutyl)-N-methyl-propanamide (2S)-2-(2-chlorophenyl)sulfanyl-…

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) 3.23 8.74 -18.26 0 3 0 44 308.834 4 ↓

Analogs

6351984
6351984
6351986
6351986

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-chlorophenyl)sulfanyl-N-(1-cyanocyclobutyl)-N-methyl-propanamide (2R)-2-(2-chlorophenyl)sulfanyl-…

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) 3.23 8.75 -19.64 0 3 0 44 308.834 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-bromophenyl)sulfanyl-N-(1-cyanocyclobutyl)-N-methyl-propanamide (2S)-2-(4-bromophenyl)sulfanyl-N…

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 8.91 -16.74 0 3 0 44 353.285 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromophenyl)sulfanyl-N-(1-cyanocyclobutyl)-N-methyl-propanamide (2R)-2-(4-bromophenyl)sulfanyl-N…

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 8.92 -16.68 0 3 0 44 353.285 4 ↓

Analogs

4836734
4836734

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenyl)sulfanyl-N-(1-cyanocyclobutyl)-N-methyl-acetamide 2-(4-bromophenyl)sulfanyl-N-(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) 3.05 8.57 -17.32 0 3 0 44 339.258 4 ↓

Analogs

22126848
22126848

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-cyanocyclobutyl)-2-(2,5-dichlorophenyl)sulfanyl-N-methyl-acetamide N-(1-cyanocyclobutyl)-2-(2,5-dic…

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 8.92 -17.39 0 3 0 44 329.252 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-cyanocyclobutyl)-2-(2,5-dimethylphenyl)sulfanyl-N-methyl-acetamide N-(1-cyanocyclobutyl)-2-(2,5-dim…

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) 3.06 9.18 -17.44 0 3 0 44 288.416 4 ↓

Parameters Provided:

ring.id = 286167
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 = 286167 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=286167&filter.purchasability=annotated

Embed Link to Results