Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_4ev3o2ctupbo02hqq5h7gn0sv6, 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: N-(5-chloro-2-methoxy-phenyl)-3-[cyclohexyl(methyl)amino]propanamide N-(5-chloro-2-methoxy-phenyl)-3-…

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) 3.98 8.43 -41.37 2 4 1 43 325.86 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminophenyl)-3-[methyl-(4-methylcyclohexyl)amino]propanamide N-(3-aminophenyl)-3-[methyl-(4-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) 2.15 6.78 -42.69 4 4 1 60 290.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminophenyl)-3-[methyl-(4-methylcyclohexyl)amino]propanamide N-(2-aminophenyl)-3-[methyl-(4-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) 2.53 7.06 -43.26 4 4 1 60 290.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-3-[methyl-(4-methylcyclohexyl)amino]propanamide N-(4-aminophenyl)-3-[methyl-(4-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) 2.17 6.79 -42.34 4 4 1 60 290.431 5 ↓

Analogs

39880844
39880844
39880845
39880845
39880846
39880846
39880847
39880847

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxy-5-nitro-phenyl)-3-[methyl-(4-methylcyclohexyl)amino]propanamide N-(2-methoxy-5-nitro-phenyl)-3-[…

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) 3.04 9.03 -48.16 2 7 1 89 350.439 7 ↓

Parameters Provided:

ring.id = 123639
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 = 123639 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=123639&filter.purchasability=annotated

Embed Link to Results