Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_3cfoh1niqr3i2s1s610m2unrc5, 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: 3-chloro-N-{3,5-dibromo-2-[(4-bromobenzyl)oxy]benzyl}-4-methylaniline 3-chloro-N-{3,5-dibromo-2-[(4-br…

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) 8.18 -1.43 -3.98 2 1 0 21 574.538 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{5-bromo-2-[(3-fluorobenzyl)oxy]benzyl}-N-(4-methoxyphenyl)amine N-{5-bromo-2-[(3-fluorobenzyl)ox…

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) 5.78 -0.02 -7.52 1 3 0 30 416.29 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-{3,5-dibromo-2-[(2-fluorobenzyl)oxy]benzyl}-4-methylaniline 3-chloro-N-{3,5-dibromo-2-[(2-fl…

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) 7.49 0.16 -4.97 2 1 0 21 513.632 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{5-bromo-2-[(3-fluorobenzyl)oxy]benzyl}-N-(3-chloro-2-methylphenyl)amine N-{5-bromo-2-[(3-fluorobenzyl)ox…

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) 6.75 0.35 -6.36 1 1 0 21 434.736 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{5-chloro-2-[(2-chlorobenzyl)oxy]benzyl}-N-(3-methylphenyl)amine N-{5-chloro-2-[(2-chlorobenzyl)o…

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) 6.51 0.11 -3.83 1 2 0 21 372.295 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3,5-dibromo-2-[(4-chlorobenzyl)oxy]benzyl}-N-(2,3-dimethylphenyl)amine N-{3,5-dibromo-2-[(4-chlorobenzy…

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) 7.80 -0.24 -3.44 2 1 0 21 509.669 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{5-bromo-2-[(4-chlorobenzyl)oxy]benzyl}-N-(2,3-dimethylphenyl)amine N-{5-bromo-2-[(4-chlorobenzyl)ox…

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) 7.06 -0.15 -5.46 1 2 0 21 430.773 6 ↓

Analogs

37091130
37091130
41649811
41649811
41650277
41650277

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(benzyloxy)-5-bromobenzyl]-N-(2-methylphenyl)amine N-[2-(benzyloxy)-5-bromobenzyl]-…

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) 5.98 -0.24 -4.9 1 2 0 21 382.301 6 ↓

Analogs

41649287
41649287

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(benzyloxy)-5-bromobenzyl]-N-(3,4-dimethylphenyl)amine N-[2-(benzyloxy)-5-bromobenzyl]-…

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) 6.41 -0.15 -5.07 1 2 0 21 396.328 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{2-[(4-bromobenzyl)oxy]-5-chlorobenzyl}-N-(2-methylphenyl)amine N-{2-[(4-bromobenzyl)oxy]-5-chlo…

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) 6.66 -0.38 -5.28 1 2 0 21 416.746 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3,5-dibromo-2-[(4-bromobenzyl)oxy]benzyl}-N-(2-methylphenyl)amine N-{3,5-dibromo-2-[(4-bromobenzyl…

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) 7.53 13.15 -4.04 1 2 0 21 540.093 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-N-{2-[(3-fluorobenzyl)oxy]benzyl}amine N-(4-ethoxyphenyl)-N-{2-[(3-fluo…

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) 5.37 10.7 -7.29 1 3 0 30 351.421 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{2-[(2,4-dichlorobenzyl)oxy]benzyl}-N-(2,5-dimethylphenyl)amine N-{2-[(2,4-dichlorobenzyl)oxy]be…

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) 6.91 0.64 -3.52 1 2 0 21 386.322 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{5-chloro-2-[(3-fluorobenzyl)oxy]benzyl}-N-(2-methylphenyl)amine N-{5-chloro-2-[(3-fluorobenzyl)o…

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) 5.99 1.12 -6.13 1 2 0 21 355.84 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]benzyl}-N-(3-chloro-2-methylphenyl)amine N-{5-bromo-2-[(2,4-dichlorobenzy…

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) 7.90 -0.6 -3.81 1 2 0 21 485.636 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(benzyloxy)-5-bromobenzyl]-N-(3-chloro-4-methylphenyl)amine N-[2-(benzyloxy)-5-bromobenzyl]-…

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) 6.64 -0.59 -4.79 1 2 0 21 416.746 6 ↓

Parameters Provided:

ring.id = 195644
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 = 195644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=195644&filter.purchasability=annotated

Embed Link to Results