Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_o7f03cu2gh5bi9is1u098kggc5, 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

12022816
12022816

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1S)-1-(2,5-difluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxo-ethyl]thiazolidin 3-[2-[(1S)-1-(2,5-difluorophenyl…

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) 3.13 0.38 -15.72 1 6 0 73 441.459 3 ↓

Analogs

12022812
12022812

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1R)-1-(2,5-difluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxo-ethyl]thiazolidin 3-[2-[(1R)-1-(2,5-difluorophenyl…

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) 3.13 0.39 -15.8 1 6 0 73 441.459 3 ↓

Analogs

12028914
12028914

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1S)-1-(4-ethylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxo-ethyl]thiazolidine-2,4 3-[2-[(1S)-1-(4-ethylphenyl)-1,3…

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) 3.79 -0.5 -15.51 1 6 0 73 433.533 4 ↓

Analogs

12028913
12028913

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1R)-1-(4-ethylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxo-ethyl]thiazolidine-2,4 3-[2-[(1R)-1-(4-ethylphenyl)-1,3…

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) 3.79 -0.5 -15.55 1 6 0 73 433.533 4 ↓

Parameters Provided:

ring.id = 76219
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 = 76219 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=76219&filter.purchasability=annotated

Embed Link to Results