Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_au3cdb3fmi4jk919405l8auif1, 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

12222070
12222070
12222071
12222071
12222072
12222072

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-1-[(3R,4S)-4-hydroxy-3-methyl-1-piperidyl]propan-1- 3-[2-(4-fluorophenyl)pyrrolo[2,3…

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) 2.65 -1.14 -12.38 1 5 0 58 381.451 4 ↓
Lo Low (pH 4.5-6) 2.65 -1.03 -40.27 2 5 1 60 382.459 4 ↓

Analogs

12222071
12222071
12222072
12222072
12222069
12222069

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-1-[(3S,4S)-4-hydroxy-3-methyl-1-piperidyl]propan-1- 3-[2-(4-fluorophenyl)pyrrolo[2,3…

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) 2.65 -1.27 -13.09 1 5 0 58 381.451 4 ↓
Lo Low (pH 4.5-6) 2.65 -1.16 -40.98 2 5 1 60 382.459 4 ↓

Analogs

12222072
12222072
12222069
12222069
12222070
12222070

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-1-[(3R,4R)-4-hydroxy-3-methyl-1-piperidyl]propan-1- 3-[2-(4-fluorophenyl)pyrrolo[2,3…

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) 2.65 -1.29 -12.66 1 5 0 58 381.451 4 ↓
Lo Low (pH 4.5-6) 2.65 -1.18 -42.4 2 5 1 60 382.459 4 ↓

Analogs

12222069
12222069
12222070
12222070

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-1-[(3S,4R)-4-hydroxy-3-methyl-1-piperidyl]propan-1- 3-[2-(4-fluorophenyl)pyrrolo[2,3…

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) 2.65 -1.14 -12.2 1 5 0 58 381.451 4 ↓
Lo Low (pH 4.5-6) 2.65 -1.04 -41.26 2 5 1 60 382.459 4 ↓

Parameters Provided:

ring.id = 93626
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 = 93626 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=93626&filter.purchasability=annotated

Embed Link to Results