Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_n4qp3nmen157fulqf3j3dteel0, 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: [4-(methanesulfonamido)phenyl] [4-(methanesulfonamido)phenyl]

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) 2.43 6.16 -45.24 0 5 -1 75 308.379 5 ↓
Lo Low (pH 4.5-6) 2.43 5.99 -13.66 1 5 0 72 309.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(methanesulfonamido)phenyl] [4-(methanesulfonamido)phenyl]

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) 2.43 6.1 -46.28 0 5 -1 75 308.379 5 ↓
Lo Low (pH 4.5-6) 2.43 5.94 -14.03 1 5 0 72 309.387 5 ↓

Analogs

41851938
41851938
41902640
41902640
41902642
41902642

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(methylcarbamoyl)phenyl] [3-(methylcarbamoyl)phenyl]

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) 2.37 7.64 -14.68 1 4 0 55 273.332 4 ↓

Analogs

41902640
41902640
41902642
41902642
41851935
41851935

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(methylcarbamoyl)phenyl] [3-(methylcarbamoyl)phenyl]

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) 2.37 7.6 -15.13 1 4 0 55 273.332 4 ↓

Analogs

41982644
41982644

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(methylcarbamoyl)phenyl] [2-(methylcarbamoyl)phenyl]

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) 2.89 8.45 -13.89 1 4 0 55 273.332 4 ↓

Analogs

41982642
41982642

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(methylcarbamoyl)phenyl] [2-(methylcarbamoyl)phenyl]

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) 2.89 8.28 -13.07 1 4 0 55 273.332 4 ↓

Parameters Provided:

ring.id = 91002
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 = 91002 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=91002&filter.purchasability=annotated

Embed Link to Results