Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_jo925m85cek7j2kn7j3b4si6e2, 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: 5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-isobutyl-furan-2-carboxamide 5-[[benzyl-[(3,4-dimethoxyphenyl…

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) 4.00 11.15 -52.99 2 6 1 65 437.56 11 ↓

Analogs

36148694
36148694
36148697
36148697
36202784
36202784
36203255
36203255
35743410
35743410

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[benzyl(p-tolylmethyl)amino]methyl]-2-furyl]propan-2-ol 2-[5-[[benzyl(p-tolylmethyl)amin…

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) 4.63 11.54 -37.93 2 3 1 38 350.482 7 ↓

Analogs

36157141
36157141

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-[[benzyl(p-tolylmethyl)amino]methyl]-2-furyl]hepta-1,6-dien-4-ol 4-[5-[[benzyl(p-tolylmethyl)amin…

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) 5.71 14.15 -38.39 2 3 1 38 402.558 11 ↓

Analogs

36157147
36157147

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[[benzyl(p-tolylmethyl)amino]methyl]-2-furyl]-2,4-dimethyl-penta-1,4-dien-3-ol 3-[5-[[benzyl(p-tolylmethyl)amin…

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) 6.26 13.81 -38.47 2 3 1 38 402.558 9 ↓

Analogs

36157150
36157150
36202845
36202845
36203153
36203153

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-[[benzyl(p-tolylmethyl)amino]methyl]-2-furyl]nona-1,8-dien-5-ol 5-[5-[[benzyl(p-tolylmethyl)amin…

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) 6.73 15.66 -38.95 2 3 1 38 430.612 13 ↓

Analogs

42148393
42148393
35122323
35122323

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[benzyl(2-furylmethyl)amino]methyl]benzonitrile 3-[[benzyl(2-furylmethyl)amino]m…

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) 3.53 10.13 -8.71 0 3 0 40 302.377 6 ↓
Mid Mid (pH 6-8) 3.53 12.23 -47.13 1 3 1 41 303.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-furylmethyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]methyl]-N-methyl-benzamide 4-[[2-furylmethyl-[[4-(trifluoro…

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) 3.96 9.94 -53.12 2 5 1 56 419.423 9 ↓
Hi High (pH 8-9.5) 3.96 7.82 -11.9 1 5 0 55 418.415 9 ↓

Parameters Provided:

ring.id = 13531
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 = 13531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=13531&filter.purchasability=annotated

Embed Link to Results