Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_e1uol1q2dsnpfip8s2oms8s4j7, 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

53122830
53122830

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3E)-3-[(5R)-1-[(4-fluorophenyl)methyl]-5-isopentyl-2,4-dioxo-3-piperidylidene]-1,1-dioxo-4H-benz N-[(3E)-3-[(5R)-1-[(4-fluorophen…

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) 3.21 6.15 -111.32 1 10 -2 150 562.645 8 ↓
Hi High (pH 8-9.5) 3.21 5.8 -219.43 0 10 -3 152 561.637 8 ↓
Mid Mid (pH 6-8) 2.63 6.27 -61.01 1 10 -1 144 563.653 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3E)-3-[(6S)-1-[(4-fluorophenyl)methyl]-6-isopentyl-2,4-dioxo-3-piperidylidene]-1,1-dioxo-4H-benz N-[(3E)-3-[(6S)-1-[(4-fluorophen…

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) 3.10 6.21 -109.51 1 10 -2 150 562.645 8 ↓
Hi High (pH 8-9.5) 3.10 5.93 -217.2 0 10 -3 152 561.637 8 ↓
Mid Mid (pH 6-8) 2.52 5.72 -51.8 1 10 -1 144 563.653 8 ↓

Analogs

53122830
53122830

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3E)-3-[(5R)-1-[(4-fluorophenyl)methyl]-5-isopentyl-5-methyl-2,4-dioxo-3-piperidylidene]-1,1-diox N-[(3E)-3-[(5R)-1-[(4-fluorophen…

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) 3.46 6.68 -112.42 1 10 -2 150 576.672 8 ↓
Hi High (pH 8-9.5) 3.46 6.32 -220.48 0 10 -3 152 575.664 8 ↓
Mid Mid (pH 6-8) 2.88 6.18 -54.72 1 10 -1 144 577.68 8 ↓

Analogs

53119672
53119672

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3E)-3-[(5R)-1-[(4-fluorophenyl)methyl]-5-(3-methylbut-2-enyl)-2,4-dioxo-3-piperidylidene]-1,1-di N-[(3E)-3-[(5R)-1-[(4-fluorophen…

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) 3.24 6.09 -113.46 1 10 -2 150 560.629 7 ↓
Hi High (pH 8-9.5) 3.24 5.72 -221.32 0 10 -3 152 559.621 7 ↓
Mid Mid (pH 6-8) 3.24 6.05 -57.94 2 10 -1 148 561.637 7 ↓

Parameters Provided:

ring.id = 194399
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 = 194399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=194399&filter.purchasability=annotated

Embed Link to Results