Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ujdie4qsses0jko4f9brpn6ml7, 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: (2,5-dichloro-3-thienyl)-[(1S,2R)-2-methylcyclopropyl]methanone (2,5-dichloro-3-thienyl)-[(1S,2R…

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) 4.13 7.34 -4.24 0 1 0 17 235.135 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dichloro-3-thienyl)-[(1S,2S)-2-methylcyclopropyl]methanone (2,5-dichloro-3-thienyl)-[(1S,2S…

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) 4.13 7.32 -4.57 0 1 0 17 235.135 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dichloro-3-thienyl)-[(1R,2R)-2-methylcyclopropyl]methanone (2,5-dichloro-3-thienyl)-[(1R,2R…

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) 4.13 7.32 -4.61 0 1 0 17 235.135 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dichloro-3-thienyl)-[(1R,2S)-2-methylcyclopropyl]methanone (2,5-dichloro-3-thienyl)-[(1R,2S…

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) 4.13 7.34 -4.24 0 1 0 17 235.135 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropyl-(2,5-dichloro-3-thienyl)methanone cyclopropyl-(2,5-dichloro-3-thie…

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) 3.52 6.64 -4.77 0 1 0 17 221.108 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dibromo-3-thienyl)-[(1S,2R)-2-methylcyclopropyl]methanone (2,5-dibromo-3-thienyl)-[(1S,2R)…

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) 4.39 7.55 -3.9 0 1 0 17 324.037 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dibromo-3-thienyl)-[(1S,2S)-2-methylcyclopropyl]methanone (2,5-dibromo-3-thienyl)-[(1S,2S)…

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) 4.39 7.54 -4.24 0 1 0 17 324.037 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dibromo-3-thienyl)-[(1R,2R)-2-methylcyclopropyl]methanone (2,5-dibromo-3-thienyl)-[(1R,2R)…

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) 4.39 7.54 -4.27 0 1 0 17 324.037 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,5-dibromo-3-thienyl)-[(1R,2S)-2-methylcyclopropyl]methanone (2,5-dibromo-3-thienyl)-[(1R,2S)…

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) 4.39 7.56 -3.95 0 1 0 17 324.037 2 ↓

Parameters Provided:

ring.id = 569040
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 = 569040 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=569040&filter.purchasability=annotated

Embed Link to Results