Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_4t80ml4rn23d19a94dn4j9sqf6, 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: [(6R)-2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone [(6R)-2-amino-6-methyl-4,5,6,7-t…

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) 3.87 7.22 -10.07 2 5 0 71 361.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(6S)-2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone [(6S)-2-amino-6-methyl-4,5,6,7-t…

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) 3.87 7.23 -9.83 2 5 0 71 361.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3,4,5-trimethoxybenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide N-[3-(3,4,5-trimethoxybenzoyl)-4…

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) 3.13 7.68 -12.35 1 6 0 74 389.473 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6R)-6-methyl-3-(3,4,5-trimethoxybenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide N-[(6R)-6-methyl-3-(3,4,5-trimet…

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) 3.60 8.31 -11.67 1 6 0 74 403.5 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(6S)-6-methyl-3-(3,4,5-trimethoxybenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide N-[(6S)-6-methyl-3-(3,4,5-trimet…

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) 3.60 8.31 -11.89 1 6 0 74 403.5 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(6R)-2-amino-6-methoxy-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone [(6R)-2-amino-6-methoxy-4,5,6,7-…

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) 3.10 5.64 -10.55 2 6 0 80 377.462 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(6S)-2-amino-6-methoxy-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone [(6S)-2-amino-6-methoxy-4,5,6,7-…

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) 3.10 5.64 -10.66 2 6 0 80 377.462 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-methoxybenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide N-[3-(4-methoxybenzoyl)-4,5,6,7-…

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) 3.56 7.86 -10.53 1 4 0 55 329.421 4 ↓

Parameters Provided:

ring.id = 199873
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 = 199873 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=199873&filter.purchasability=annotated

Embed Link to Results