Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_rnnde7rek6s6e0vij15oo4fa51, 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-[(2-amino-4-methyl-phenyl)sulfanylmethyl]isoindoline-1,3-dione 2-[(2-amino-4-methyl-phenyl)sulf…

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) 3.43 6.74 -11 2 4 0 65 298.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-2-methyl-phenyl)sulfanylmethyl]isoindoline-1,3-dione 2-[(4-amino-2-methyl-phenyl)sulf…

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) 3.02 6.57 -11.58 2 4 0 65 298.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-2-fluoro-phenyl)sulfanylmethyl]isoindoline-1,3-dione 2-[(4-amino-2-fluoro-phenyl)sulf…

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) 2.74 6.04 -13.63 2 4 0 65 302.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-amino-4-fluoro-phenyl)sulfanylmethyl]isoindoline-1,3-dione 2-[(2-amino-4-fluoro-phenyl)sulf…

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) 3.15 6.14 -10.28 2 4 0 65 302.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-amino-6-chloro-phenyl)sulfanylmethyl]isoindoline-1,3-dione 2-[(2-amino-6-chloro-phenyl)sulf…

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) 3.64 6.57 -10.08 2 4 0 65 318.785 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-amino-2-chloro-phenyl)sulfanylmethyl]isoindoline-1,3-dione 2-[(4-amino-2-chloro-phenyl)sulf…

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) 3.25 6.45 -12.5 2 4 0 65 318.785 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-amino-4-bromo-phenyl)sulfanylmethyl]isoindoline-1,3-dione 2-[(2-amino-4-bromo-phenyl)sulfa…

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 6.7 -9.92 2 4 0 65 363.236 3 ↓

Parameters Provided:

ring.id = 546025
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 = 546025 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=546025&filter.purchasability=annotated

Embed Link to Results