Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_39geham17ae1g7cf1o7pjqg994, 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

4388504
4388504
4388505
4388505
4411031
4411031
4411033
4411033
12642326
12642326

Draw Identity 99% 90% 80% 70%

Popular Name: allyl-N-benzyl-N'-tert-butyl-keto-BLAHdicarboxamide allyl-N-benzyl-N'-tert-butyl-ket…

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) 1.97 -2.94 -18.75 2 7 0 87 423.513 7 ↓

Analogs

4895695
4895695
4895698
4895698
12642357
12642357
12642362
12642362
33939867
33939867

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N'-tert-butyl-isopropyl-keto-BLAHdicarboxamide N-benzyl-N'-tert-butyl-isopropyl…

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) 1.99 -2.96 -18.14 2 7 0 87 425.529 6 ↓

Analogs

4400205
4400205
4400206
4400206

Draw Identity 99% 90% 80% 70%

Popular Name: N'-tert-butyl-isoamyl-keto-methyl-N-p-anisyl-BLAHdicarboxamide N'-tert-butyl-isoamyl-keto-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) 3.48 8.01 -19.47 2 8 0 97 497.636 9 ↓

Parameters Provided:

ring.id = 226041
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 = 226041 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=226041&filter.purchasability=annotated

Embed Link to Results