Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_6vrnp323i3osbna2aprusg2v02, 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

15925207
15925207
25460772
25460772
25460940
25460940
25460944
25460944

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-phenyl-benzenesulfonamide 4-[4-(benzenesulfonyl)piperazine…

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) 2.47 5.94 -20.33 1 8 0 104 485.587 6 ↓
Hi High (pH 8-9.5) 2.47 6.01 -49.23 0 8 -1 106 484.579 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(o-tolyl)benzenesulfonamide 4-[4-(benzenesulfonyl)piperazine…

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) 2.87 6.76 -17.89 1 8 0 104 499.614 6 ↓
Mid Mid (pH 6-8) 2.87 6.82 -50.59 0 8 -1 106 498.606 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-N-phenyl-benzenesulfonamide 4-[4-(4-methoxyphenyl)sulfonylpi…

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) 2.53 5.24 -21.21 1 9 0 113 515.613 7 ↓
Hi High (pH 8-9.5) 2.53 5.31 -49.57 0 9 -1 115 514.605 7 ↓

Parameters Provided:

ring.id = 103048
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 = 103048 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=103048&filter.purchasability=annotated

Embed Link to Results