Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_r97hc8gmqpfm7dqk5jao2l4gj4, 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-methyl-5-[[(1R)-1-(3-methyl-2-thienyl)ethyl]amino]isoindoline-1,3-dione 2-methyl-5-[[(1R)-1-(3-methyl-2-…

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) 3.59 6.74 -8.79 1 4 0 51 300.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]isoindoline-1,3-dione 2-methyl-5-[[(1S)-1-(3-methyl-2-…

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) 3.59 6.73 -8.73 1 4 0 51 300.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-(3-methyl-2-thienyl)ethyl]amino]isoindoline-1,3-dione 5-[[(1R)-1-(3-methyl-2-thienyl)e…

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 4.34 -8.46 2 4 0 62 286.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]isoindoline-1,3-dione 5-[[(1S)-1-(3-methyl-2-thienyl)e…

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 4.34 -8.45 2 4 0 62 286.356 3 ↓

Analogs

41202613
41202613
19966520
19966520
19966521
19966521

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-(5-ethyl-2-thienyl)ethyl]amino]isoindoline-1,3-dione 5-[[(1R)-1-(5-ethyl-2-thienyl)et…

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) 3.94 5.42 -8.39 2 4 0 62 300.383 4 ↓

Analogs

41202610
41202610
19966520
19966520
19966521
19966521

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S)-1-(5-ethyl-2-thienyl)ethyl]amino]isoindoline-1,3-dione 5-[[(1S)-1-(5-ethyl-2-thienyl)et…

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) 3.94 5.42 -8.3 2 4 0 62 300.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S)-1-(3-bromo-2-thienyl)ethyl]amino]-2-methyl-isoindoline-1,3-dione 5-[[(1S)-1-(3-bromo-2-thienyl)et…

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) 3.95 6.71 -8.34 1 4 0 51 365.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-(3-bromo-2-thienyl)ethyl]amino]-2-methyl-isoindoline-1,3-dione 5-[[(1R)-1-(3-bromo-2-thienyl)et…

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) 3.95 6.72 -8.34 1 4 0 51 365.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]isoindoline-1,3-dione 5-[[(1S)-2-methyl-1-(2-thienyl)p…

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) 3.89 5.21 -8.13 2 4 0 62 300.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]isoindoline-1,3-dione 5-[[(1R)-2-methyl-1-(2-thienyl)p…

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) 3.89 5.18 -8 2 4 0 62 300.383 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S)-1-(3-bromo-2-thienyl)ethyl]amino]isoindoline-1,3-dione 5-[[(1S)-1-(3-bromo-2-thienyl)et…

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) 3.89 4.31 -8.01 2 4 0 62 351.225 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R)-1-(3-bromo-2-thienyl)ethyl]amino]isoindoline-1,3-dione 5-[[(1R)-1-(3-bromo-2-thienyl)et…

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) 3.89 4.33 -8.04 2 4 0 62 351.225 3 ↓

Parameters Provided:

ring.id = 520040
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 = 520040 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=520040&filter.purchasability=annotated

Embed Link to Results