Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_b25ehb461cvgudb9nlhd3k9157, 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

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(4-isopropylphenoxy)ethoxy]quinoline 8-[2-(4-isopropylphenoxy)ethoxy]…

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) 5.14 1.13 -12.5 0 3 0 31 307.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(2,5-dimethylphenoxy)ethoxy]quinoline 8-[2-(2,5-dimethylphenoxy)ethoxy…

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) 4.46 1.05 -12.78 0 3 0 31 293.366 5 ↓

Analogs

2985111
2985111

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(2-tert-butylphenoxy)ethoxy]quinoline 8-[2-(2-tert-butylphenoxy)ethoxy…

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) 5.29 1.89 -11.33 0 3 0 31 321.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(2-bromo-4-chloro-phenoxy)ethoxy]quinoline 8-[2-(2-bromo-4-chloro-phenoxy)e…

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) 5.05 -0.5 -12.87 0 3 0 31 378.653 5 ↓

Analogs

36671937
36671937

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(4-nitrophenoxy)ethoxy]quinoline 8-[2-(4-nitrophenoxy)ethoxy]quin…

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) 3.59 0.85 -15.19 0 6 0 77 310.309 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(4-chloro-2,5-dimethyl-phenoxy)ethoxy]quinoline 8-[2-(4-chloro-2,5-dimethyl-phen…

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) 5.06 9.83 -11.98 0 3 0 31 327.811 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(2-bromophenoxy)ethoxy]quinoline 8-[2-(2-bromophenoxy)ethoxy]quin…

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) 4.39 8.66 -13.88 0 3 0 31 344.208 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(4-bromo-2,6-dimethyl-phenoxy)ethoxy]quinoline 8-[2-(4-bromo-2,6-dimethyl-pheno…

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) 5.20 0.43 -10.89 0 3 0 31 372.262 5 ↓

Analogs

36671937
36671937

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(4-methylphenoxy)ethoxy]quinoline 8-[2-(4-methylphenoxy)ethoxy]qui…

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) 4.08 0.65 -12.91 0 3 0 31 279.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]quinoline 8-[2-(2-isopropyl-5-methyl-pheno…

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) 5.05 1.57 -12.62 0 3 0 31 321.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(4-fluorophenoxy)ethoxy]quinoline 8-[2-(4-fluorophenoxy)ethoxy]qui…

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) 3.80 1.07 -12.45 0 3 0 31 283.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(4-chloro-3-ethyl-phenoxy)ethoxy]quinoline 8-[2-(4-chloro-3-ethyl-phenoxy)e…

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) 5.15 0.66 -12.09 0 3 0 31 327.811 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-(8-quinolyloxy)ethoxy]phenyl]methanol [2-[2-(8-quinolyloxy)ethoxy]phen…

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) 2.92 5.53 -14.05 1 4 0 52 295.338 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(8-quinolyloxy)ethoxy]aniline 3-[2-(8-quinolyloxy)ethoxy]aniline

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) 2.69 5.87 -13.76 2 4 0 57 280.327 5 ↓

Parameters Provided:

ring.id = 244193
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 = 244193 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=244193&filter.purchasability=annotated

Embed Link to Results