Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_rhlljvn3ph16qfp1a803qe17p6, 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: 6-bromo-5-(2-keto-3,3-dimethyl-butoxy)-2-phenyl-benzofuran-3-carboxylic-acid-ethyl-ester 6-bromo-5-(2-keto-3,3-dimethyl-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) 5.96 3.65 -12.65 0 5 0 65 459.336 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(m-tolyl)benzofuran-3-yl]but-3-yn-1-ol 4-[2-(m-tolyl)benzofuran-3-yl]bu…

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) 4.37 8.6 -9.72 1 2 0 33 276.335 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-phenylbenzofuran-3-yl)propan-1-ol 3-(2-phenylbenzofuran-3-yl)propa…

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) 4.17 7.37 -9.25 1 2 0 33 252.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(benzofuran-2-yl)phenyl]-N-methyl-acetamide 2-[4-(benzofuran-2-yl)phenyl]-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) 3.47 7.55 -14.07 1 3 0 42 265.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[4-(benzofuran-2-yl)-2-fluoro-phenyl]acetamide 2-amino-N-[4-(benzofuran-2-yl)-2…

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) 2.62 5.12 -53.77 4 4 1 70 285.298 3 ↓
Hi High (pH 8-9.5) 2.62 4.71 -10.06 3 4 0 68 284.29 3 ↓

Parameters Provided:

ring.id = 229871
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 = 229871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=229871&filter.purchasability=annotated

Embed Link to Results