Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_fung62rn0tdhgrlp68n9bagl34, 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

9560799
9560799
9560800
9560800
9560801
9560801

Draw Identity 99% 90% 80% 70%

Popular Name: diethoxy-oxo-N-(3-pyridylmethyl)BLAHcarboxamide diethoxy-oxo-N-(3-pyridylmethyl)…

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) 1.91 -1.5 -19.19 1 7 0 80 471.557 7 ↓
Lo Low (pH 4.5-6) 1.91 -1.39 -53.15 2 7 1 82 472.565 7 ↓

Analogs

9560800
9560800
9560801
9560801
9560485
9560485

Draw Identity 99% 90% 80% 70%

Popular Name: diethoxy-oxo-N-(3-pyridylmethyl)BLAHcarboxamide diethoxy-oxo-N-(3-pyridylmethyl)…

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) 1.91 9.65 -14.49 1 7 0 81 471.557 7 ↓
Lo Low (pH 4.5-6) 1.91 9.93 -51.74 2 7 1 82 472.565 7 ↓

Analogs

9560801
9560801
9560485
9560485
9560799
9560799

Draw Identity 99% 90% 80% 70%

Popular Name: diethoxy-oxo-N-(3-pyridylmethyl)BLAHcarboxamide diethoxy-oxo-N-(3-pyridylmethyl)…

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) 1.91 9.64 -14.54 1 7 0 81 471.557 7 ↓
Lo Low (pH 4.5-6) 1.91 9.92 -51.75 2 7 1 82 472.565 7 ↓

Analogs

9560485
9560485
9560799
9560799
9560800
9560800

Draw Identity 99% 90% 80% 70%

Popular Name: diethoxy-oxo-N-(3-pyridylmethyl)BLAHcarboxamide diethoxy-oxo-N-(3-pyridylmethyl)…

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) 1.91 10.15 -18.74 1 7 0 81 471.557 7 ↓
Lo Low (pH 4.5-6) 1.91 10.43 -54.34 2 7 1 82 472.565 7 ↓

Parameters Provided:

ring.id = 7534
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 = 7534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=7534&filter.purchasability=annotated

Embed Link to Results