Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_7hs530pgcv1b61tcgpph70oiq0, 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-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-chloro-benzamide N-[[4-(1,3-benzoxazol-2-yl)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) 4.92 7.94 -12.69 1 4 0 55 362.816 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-chloro-benzamide N-[[4-(1,3-benzoxazol-2-yl)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) 4.89 7.94 -12.21 1 4 0 55 362.816 4 ↓

Analogs

14257929
14257929
39964919
39964919
39964925
39964925

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methyl-benzamide N-[[4-(1,3-benzoxazol-2-yl)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) 4.69 8.1 -13.25 1 4 0 55 342.398 4 ↓

Analogs

39964919
39964919
39964925
39964925
14257927
14257927

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]benzamide N-[[4-(1,3-benzoxazol-2-yl)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) 4.24 7.42 -13.44 1 4 0 55 328.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-fluoro-benzamide N-[[4-(1,3-benzoxazol-2-yl)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) 4.40 7.49 -13.06 1 4 0 55 346.361 4 ↓

Analogs

39964919
39964919

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-ethyl-benzamide N-[[4-(1,3-benzoxazol-2-yl)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) 5.16 8.87 -13.06 1 4 0 55 356.425 5 ↓

Parameters Provided:

ring.id = 242872
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 = 242872 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=242872&filter.purchasability=annotated

Embed Link to Results