Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_j1cls6fmt206n1vtv2pu1csik0, 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: 3-[2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]benzonitrile 3-[2-[[5-[(4-chlorophenoxy)methy…

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) 3.90 5.45 -13.97 0 6 0 81 387.848 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-bromophenoxy)ethylsulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole 2-[2-(4-bromophenoxy)ethylsulfan…

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) 5.13 6.69 -10.02 0 5 0 57 435.343 8 ↓

Analogs

12854664
12854664
32128779
32128779
32128780
32128780

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(4-fluorophenoxy)ethyl]-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,3,4-oxadiazole 2-[(1R)-1-(4-fluorophenoxy)ethyl…

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) 4.08 4.51 -11.78 0 6 0 67 390.436 9 ↓

Analogs

32128779
32128779
32128780
32128780
12854660
12854660

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(4-fluorophenoxy)ethyl]-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,3,4-oxadiazole 2-[(1S)-1-(4-fluorophenoxy)ethyl…

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) 4.08 4.51 -11.79 0 6 0 67 390.436 9 ↓

Analogs

13127904
13127904

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-bromophenoxy)ethylsulfanyl]-5-[(1R)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazole 2-[2-(4-bromophenoxy)ethylsulfan…

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) 4.78 5.85 -13.94 0 5 0 57 439.306 8 ↓

Analogs

13127903
13127903

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-bromophenoxy)ethylsulfanyl]-5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazole 2-[2-(4-bromophenoxy)ethylsulfan…

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) 4.78 5.85 -13.92 0 5 0 57 439.306 8 ↓

Parameters Provided:

ring.id = 60813
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 = 60813 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=60813&filter.purchasability=annotated

Embed Link to Results