Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_h3bp4nrtp2f0mkctpuleqmd5t4, 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: (2R)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(6-bromo-1,3-benzothiazol…

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 7.78 -14.65 2 5 0 71 434.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(6-bromo-1,3-benzothiazol…

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 9.27 -16.52 2 5 0 71 434.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(4,5-dimethyl-1,3-benzoth…

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) 3.96 9.54 -15.3 2 5 0 71 383.498 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(4,5-dimethyl-1,3-benzoth…

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) 3.96 8.08 -13.4 2 5 0 71 383.498 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(4,6-dimethyl-1,3-benzoth…

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) 3.96 9.66 -15.14 2 5 0 71 383.498 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(4,6-dimethyl-1,3-benzoth…

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) 3.96 8.2 -13.28 2 5 0 71 383.498 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-N-(4-methyl-1,3-be…

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 9.01 -15.34 2 5 0 71 369.471 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-N-(4-methyl-1,3-be…

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 7.55 -13.54 2 5 0 71 369.471 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-N-(6-methylsulfony…

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) 2.00 4.7 -23.12 2 7 0 105 433.536 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-N-(6-methylsulfony…

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) 2.00 6.19 -25.22 2 7 0 105 433.536 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-(6-methoxy-1,3-benzothiaz…

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) 3.19 6.45 -16.59 2 6 0 80 385.47 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-(6-methoxy-1,3-benzothiaz…

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) 3.19 7.95 -18.59 2 6 0 80 385.47 3 ↓

Parameters Provided:

ring.id = 559811
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 = 559811 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=559811&filter.purchasability=annotated

Embed Link to Results