Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_su3kfvqbgic4jep1aiimr3j883, 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

2608752
2608752
2608753
2608753
2609201
2609201
1284109
1284109

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide N-(5-benzylsulfanyl-1,3,4-thiadi…

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) 4.12 9.86 -18.14 1 6 0 73 415.54 9 ↓

Analogs

2609201
2609201
1284109
1284109

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide N-(5-benzylsulfanyl-1,3,4-thiadi…

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) 4.10 9.78 -19.3 1 7 0 83 445.566 10 ↓

Analogs

39723997
39723997

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2-hydroxyphenyl)propanamide N-[5-[(4-cyanophenyl)methylsulfa…

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 8.26 -19.96 2 6 0 99 396.497 7 ↓
Hi High (pH 8-9.5) 4.35 6.78 -47.94 1 6 -1 105 395.489 7 ↓

Parameters Provided:

ring.id = 251268
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 = 251268 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=251268&filter.purchasability=annotated

Embed Link to Results