Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_gcdum4k4v9tjbe0s3ldphegeb0, 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

11839892
11839892

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-[(2-hydroxy-4-methoxy-phenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]oct (1S)-6-[(2-hydroxy-4-methoxy-phe…

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) 4.18 0.23 -46.64 3 5 1 63 449.493 7 ↓

Analogs

11839890
11839890

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-[(2-hydroxy-4-methoxy-phenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]oct (1R)-6-[(2-hydroxy-4-methoxy-phe…

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) 4.18 0.08 -50.7 3 5 1 63 449.493 7 ↓

Analogs

12004666
12004666

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-[(4-acetamidophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-1-car (1S)-6-[(4-acetamidophenyl)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) 3.40 1.38 -45.2 3 5 1 63 460.52 7 ↓

Analogs

12004661
12004661

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-[(4-acetamidophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-1-car (1R)-6-[(4-acetamidophenyl)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) 3.40 1.25 -54.73 3 5 1 63 460.52 7 ↓

Analogs

12041889
12041889

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-[(2-hydroxy-3-methoxy-phenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]oct (1S)-6-[(2-hydroxy-3-methoxy-phe…

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) 3.75 0.56 -45.03 3 5 1 63 449.493 7 ↓

Analogs

12041887
12041887

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-[(2-hydroxy-3-methoxy-phenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]oct (1R)-6-[(2-hydroxy-3-methoxy-phe…

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) 3.75 0.47 -39.32 3 5 1 63 449.493 7 ↓

Analogs

12218703
12218703

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-6-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-6-aza (1S)-6-[[4-(3-hydroxy-3-methyl-b…

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) 4.56 1.41 -47.18 3 4 1 54 485.57 6 ↓

Analogs

12218702
12218702

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-6-[[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-6-aza (1R)-6-[[4-(3-hydroxy-3-methyl-b…

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) 4.56 1.35 -55.28 3 4 1 54 485.57 6 ↓

Parameters Provided:

ring.id = 58557
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 = 58557 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=58557&filter.purchasability=annotated

Embed Link to Results