Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_a2bpuvq5j1alkbooc05fmfvss0, 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: N-[(2,3-dimethoxyphenyl)methyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine N-[(2,3-dimethoxyphenyl)methyl]-…

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) 2.41 8.85 -85.31 3 5 2 43 371.525 8 ↓
Hi High (pH 8-9.5) 2.41 5.09 -7.74 1 5 0 37 369.509 8 ↓
Mid Mid (pH 6-8) 2.41 8.72 -90.34 3 5 2 43 371.525 8 ↓

Analogs

32227957
32227957

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine N-[(3,4-dimethoxyphenyl)methyl]-…

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) 2.24 8.78 -93.91 3 5 2 43 371.525 8 ↓
Hi High (pH 8-9.5) 2.24 5.05 -7.79 1 5 0 37 369.509 8 ↓
Mid Mid (pH 6-8) 2.24 8.66 -99.79 3 5 2 43 371.525 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine N-[(2,4-dimethoxyphenyl)methyl]-…

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) 2.63 8.25 -85.06 3 5 2 43 371.525 8 ↓
Hi High (pH 8-9.5) 2.63 4.48 -6.53 1 5 0 37 369.509 8 ↓
Mid Mid (pH 6-8) 2.63 8.12 -90.34 3 5 2 43 371.525 8 ↓

Analogs

34536834
34536834

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,5-dimethoxyphenyl)methyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine N-[(3,5-dimethoxyphenyl)methyl]-…

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) 2.63 8.19 -88.1 3 5 2 43 371.525 8 ↓
Hi High (pH 8-9.5) 2.63 4.46 -6.27 1 5 0 37 369.509 8 ↓
Mid Mid (pH 6-8) 2.63 8.07 -93.54 3 5 2 43 371.525 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]methyl]benzonitrile 4-[[[4-[(4-methylpiperazin-1-yl)…

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) 2.35 9.98 -99.11 3 4 2 48 336.483 6 ↓
Hi High (pH 8-9.5) 2.35 6.25 -6.55 1 4 0 42 334.467 6 ↓
Mid Mid (pH 6-8) 2.35 9.85 -105.18 3 4 2 48 336.483 6 ↓

Parameters Provided:

ring.id = 266391
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 = 266391 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=266391&filter.purchasability=annotated

Embed Link to Results