Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_pc1cdeco53ajtomsj62opfr487, 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

39897730
39897730

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfanylphenyl)tetralin-2-carboxamide N-(4-methylsulfanylphenyl)tetral…

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) 4.45 -0.03 -10.14 1 2 0 29 297.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfonylphenyl)tetralin-2-carboxamide N-(4-methylsulfonylphenyl)tetral…

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) 2.88 -3.29 -17.51 1 4 0 63 329.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methylsulfanylphenyl)tetralin-2-carboxamide N-(2-methylsulfanylphenyl)tetral…

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) 4.40 0.23 -8.7 1 2 0 29 297.423 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methylsulfonylphenyl)tetralin-2-carboxamide N-(2-methylsulfonylphenyl)tetral…

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) 3.27 -2.47 -11.9 1 4 0 63 329.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-iodophenyl)tetralin-6-carboxamide N-(2-iodophenyl)tetralin-6-carbo…

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) 5.05 10.21 -7.38 1 2 0 29 377.225 2 ↓

Analogs

8062710
8062710

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)tetralin-6-carboxamide N-(3,4-dimethoxyphenyl)tetralin-…

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) 3.66 8.19 -11.56 1 4 0 48 311.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(butanoylamino)-2-methyl-phenyl]tetralin-6-carboxamide N-[3-(butanoylamino)-2-methyl-ph…

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) 4.98 10.55 -15.68 2 4 0 58 350.462 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(hydroxymethyl)phenyl]tetralin-6-carboxamide N-[4-(hydroxymethyl)phenyl]tetra…

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) 3.35 6.31 -11.19 2 3 0 49 281.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(hydroxymethyl)phenyl]tetralin-6-carboxamide N-[2-(hydroxymethyl)phenyl]tetra…

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) 3.30 6.62 -10.57 2 3 0 49 281.355 3 ↓

Parameters Provided:

ring.id = 9905
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 = 9905 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=9905&filter.purchasability=annotated

Embed Link to Results