Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_jt93j8teaa96echdrnta8a46d7, 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

8381374
8381374
3349406
3349406
1057687
1057687

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,6-dimethylbenzofuran-3-yl)-N'-phenyl-acetohydrazide 2-(4,6-dimethylbenzofuran-3-yl)-…

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) 3.73 8.23 -13.11 2 4 0 54 294.354 4 ↓

Analogs

8381374
8381374

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-N'-phenyl-acetohydrazide 2-(5-chloro-6-methyl-benzofuran-…

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) 3.96 8.26 -12.34 2 4 0 54 314.772 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N'-phenyl-acetohydrazide 2-(5-chloro-4,6-dimethyl-benzofu…

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) 4.34 8.55 -12.44 2 4 0 54 328.799 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methylbenzofuran-3-yl)-N'-phenyl-acetohydrazide 2-(6-methylbenzofuran-3-yl)-N'-p…

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) 3.36 7.84 -13.09 2 4 0 54 280.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methylbenzofuran-3-yl)-N'-phenyl-acetohydrazide 2-(5-methylbenzofuran-3-yl)-N'-p…

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) 3.36 7.84 -13.05 2 4 0 54 280.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethylbenzofuran-3-yl)-N'-phenyl-acetohydrazide 2-(5-ethylbenzofuran-3-yl)-N'-ph…

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) 3.82 8.6 -12.68 2 4 0 54 294.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methoxybenzofuran-3-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide 2-(6-methoxybenzofuran-3-yl)-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) 3.75 8.31 -22.3 2 8 0 109 409.32 7 ↓

Parameters Provided:

ring.id = 2808
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 = 2808 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2808&filter.purchasability=annotated

Embed Link to Results