Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_nuha5pfgcg4q48ift02gpi8sr4, 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

21791474
21791474
21791478
21791478

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-fluoroindan-1-yl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1R)-4-fluoroindan-1-yl]-3,5-…

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) 1.95 6.36 -9.79 1 4 0 55 274.295 2 ↓

Analogs

21791474
21791474
21791478
21791478

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-4-fluoroindan-1-yl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1S)-4-fluoroindan-1-yl]-3,5-…

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) 1.95 6.29 -10.36 1 4 0 55 274.295 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-chloroindan-1-yl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1R)-4-chloroindan-1-yl]-3,5-…

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) 2.46 6.77 -9.3 1 4 0 55 290.75 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-4-chloroindan-1-yl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1S)-4-chloroindan-1-yl]-3,5-…

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) 2.46 6.72 -9.88 1 4 0 55 290.75 2 ↓

Analogs

42190670
42190670
42190672
42190672
42190674
42190674
42190676
42190676

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-5-chloroindan-1-yl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1R)-5-chloroindan-1-yl]-3,5-…

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) 2.49 6.8 -9.77 1 4 0 55 290.75 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-5-chloroindan-1-yl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1S)-5-chloroindan-1-yl]-3,5-…

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) 2.49 6.74 -10.22 1 4 0 55 290.75 2 ↓

Analogs

42190379
42190379
42190381
42190381
42190383
42190383
42190385
42190385
42190670
42190670

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-5-fluoroindan-1-yl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1R)-5-fluoroindan-1-yl]-3,5-…

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) 1.97 6.35 -10.3 1 4 0 55 274.295 2 ↓

Analogs

42190379
42190379
42190381
42190381
42190383
42190383
42190385
42190385
42190670
42190670

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-5-fluoroindan-1-yl]-3,5-dimethyl-isoxazole-4-carboxamide N-[(1S)-5-fluoroindan-1-yl]-3,5-…

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) 1.97 6.3 -10.84 1 4 0 55 274.295 2 ↓

Parameters Provided:

ring.id = 542841
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 = 542841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=542841&filter.purchasability=annotated

Embed Link to Results