Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_clq705agcq5rnq0p1bcegqds42, 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: 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]aniline 3-[2-(1,1-dioxo-1,4-thiazinan-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) 0.34 -0.14 -13.05 2 5 0 73 270.354 4 ↓
Lo Low (pH 4.5-6) 0.34 1.98 -54.35 3 5 1 74 271.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]aniline 4-[2-(1,1-dioxo-1,4-thiazinan-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) 0.36 -0.14 -12.8 2 5 0 73 270.354 4 ↓
Lo Low (pH 4.5-6) 0.36 1.97 -53.79 3 5 1 74 271.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]aniline 2-[2-(1,1-dioxo-1,4-thiazinan-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) 0.72 -0.01 -12.42 2 5 0 73 270.354 4 ↓
Lo Low (pH 4.5-6) 0.72 2.1 -55.29 3 5 1 74 271.362 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-{2-[3-(aminomethyl)phenoxy]ethyl}-1$l^{6},4-thiomorpholine-1,1-dione 4-{2-[3-(aminomethyl)phenoxy]eth…

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) 0.45 0.03 -53.85 3 5 1 74 285.389 5 ↓
Lo Low (pH 4.5-6) 0.45 2.14 -112.31 4 5 2 75 286.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methanamine [4-[2-(1,1-dioxo-1,4-thiazinan-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) 0.47 0.03 -55.29 3 5 1 74 285.389 5 ↓
Lo Low (pH 4.5-6) 0.47 2.14 -108.24 4 5 2 75 286.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]ethanamine 2-[4-[2-(1,1-dioxo-1,4-thiazinan…

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) 0.27 0.81 -55.88 3 5 1 74 299.416 6 ↓
Lo Low (pH 4.5-6) 0.27 2.92 -106.85 4 5 2 75 300.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methanamine [2-[2-(1,1-dioxo-1,4-thiazinan-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) 0.42 0.08 -53.2 3 5 1 74 285.389 5 ↓
Lo Low (pH 4.5-6) 0.42 2.2 -127.48 4 5 2 75 286.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzonitrile 3-[2-(1,1-dioxo-1,4-thiazinan-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) 1.02 2.38 -16.1 0 5 0 70 280.349 4 ↓
Lo Low (pH 4.5-6) 1.02 4.49 -62.67 1 5 1 72 281.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzonitrile 4-[2-(1,1-dioxo-1,4-thiazinan-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) 1.04 2.4 -15.78 0 5 0 70 280.349 4 ↓
Lo Low (pH 4.5-6) 1.04 4.51 -64.14 1 5 1 72 281.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzonitrile 2-[2-(1,1-dioxo-1,4-thiazinan-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) 0.99 2.41 -17.3 0 5 0 70 280.349 4 ↓
Lo Low (pH 4.5-6) 0.99 4.53 -58.09 1 5 1 72 281.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]acetonitrile 2-[4-[2-(1,1-dioxo-1,4-thiazinan…

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) 1.25 3.16 -17.93 0 5 0 70 294.376 5 ↓
Lo Low (pH 4.5-6) 1.25 5.28 -60.79 1 5 1 72 295.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]thioacetamide 2-[4-[2-(1,1-dioxo-1,4-thiazinan…

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) 0.38 1.78 -19.61 2 5 0 73 328.459 6 ↓
Lo Low (pH 4.5-6) 0.38 3.89 -59.32 3 5 1 74 329.467 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzenecarbothioamide 4-[2-(1,1-dioxo-1,4-thiazinan-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) 1.09 1.23 -23.07 2 5 0 73 314.432 5 ↓
Lo Low (pH 4.5-6) 1.09 3.34 -71.66 3 5 1 74 315.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzenecarbothioamide 3-[2-(1,1-dioxo-1,4-thiazinan-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) 1.06 1.21 -23.78 2 5 0 73 314.432 5 ↓
Lo Low (pH 4.5-6) 1.06 3.33 -65.24 3 5 1 74 315.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzenecarbothioamide 2-[2-(1,1-dioxo-1,4-thiazinan-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) 1.04 1.54 -18.78 2 5 0 73 314.432 5 ↓
Lo Low (pH 4.5-6) 1.04 3.66 -50.06 3 5 1 74 315.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzoic 4-[2-(1,1-dioxo-1,4-thiazinan-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) 1.20 2.56 -57.12 0 6 -1 87 298.34 5 ↓
Lo Low (pH 4.5-6) 1.20 4.67 -92.15 1 6 0 88 299.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzoic 2-[2-(1,1-dioxo-1,4-thiazinan-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) 1.23 3.31 -61.98 0 6 -1 87 298.34 5 ↓
Lo Low (pH 4.5-6) 1.23 5.4 -70.87 1 6 0 88 299.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]benzoic 3-[2-(1,1-dioxo-1,4-thiazinan-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) 1.17 2.56 -60.13 0 6 -1 87 298.34 5 ↓
Lo Low (pH 4.5-6) 1.17 4.67 -89.04 1 6 0 88 299.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]-N-methyl-methanamine 1-[2-[2-(1,1-dioxo-1,4-thiazinan…

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) 0.80 1.95 -48.11 2 5 1 63 299.416 6 ↓
Lo Low (pH 4.5-6) 0.80 4.08 -122.17 3 5 2 64 300.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]ethanamine N-[[2-[2-(1,1-dioxo-1,4-thiazina…

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) 1.17 2.82 -47.2 2 5 1 63 313.443 7 ↓
Lo Low (pH 4.5-6) 1.17 4.95 -122.13 3 5 2 64 314.451 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]-N-methyl-methanamine 1-[3-[2-(1,1-dioxo-1,4-thiazinan…

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) 0.82 1.9 -48.71 2 5 1 63 299.416 6 ↓
Lo Low (pH 4.5-6) 0.82 4.01 -106.49 3 5 2 64 300.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]ethanamine N-[[3-[2-(1,1-dioxo-1,4-thiazina…

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) 1.20 2.76 -47.91 2 5 1 63 313.443 7 ↓
Lo Low (pH 4.5-6) 1.20 4.87 -106.09 3 5 2 64 314.451 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]-N-methyl-methanamine 1-[4-[2-(1,1-dioxo-1,4-thiazinan…

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) 0.84 1.9 -49.92 2 5 1 63 299.416 6 ↓
Lo Low (pH 4.5-6) 0.84 4.01 -104.3 3 5 2 64 300.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]methyl]ethanamine N-[[4-[2-(1,1-dioxo-1,4-thiazina…

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) 1.22 2.76 -49.26 2 5 1 63 313.443 7 ↓
Lo Low (pH 4.5-6) 1.22 4.87 -103.82 3 5 2 64 314.451 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]phenyl]ethanone 1-[2-[2-(1,1-dioxo-1,4-thiazinan…

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) 1.14 3.76 -17.09 0 5 0 64 297.376 5 ↓
Lo Low (pH 4.5-6) 1.14 5.85 -51.92 1 5 1 65 298.384 5 ↓

Parameters Provided:

ring.id = 77362
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 = 77362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=77362&filter.purchasability=annotated

Embed Link to Results