Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ijcn3bddorbefkp6v8hgb8a1e0, 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)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine (2R)-2-(2,3-dihydro-1,4-benzodio…

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) 0.81 2.81 -48.52 3 5 1 59 293.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamin 1-[(2R)-4-[(5-chloro-2,3-dihydro…

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) 1.92 5.44 -37.62 1 5 1 35 327.832 4 ↓
Hi High (pH 8-9.5) 1.92 2.99 -6.93 0 5 0 34 326.824 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholin-2-yl]-N,N-dimethyl-methanamin 1-[(2S)-4-[(5-chloro-2,3-dihydro…

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) 1.92 5.47 -37.45 1 5 1 35 327.832 4 ↓
Hi High (pH 8-9.5) 1.92 2.94 -6.9 0 5 0 34 326.824 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]ethyl]-2-hydroxy-acetamide N-[2-[(2R)-4-(2,3-dihydro-1,4-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) -0.54 0.56 -18.76 2 7 0 80 336.388 6 ↓
Lo Low (pH 4.5-6) -0.54 2.81 -56.66 3 7 1 81 337.396 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]ethyl]-2-hydroxy-acetamide N-[2-[(2S)-4-(2,3-dihydro-1,4-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) -0.54 0.56 -18.85 2 7 0 80 336.388 6 ↓
Lo Low (pH 4.5-6) -0.54 2.81 -56.81 3 7 1 81 337.396 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholino-ethanamine (2S)-2-(8-chloro-2,3-dihydro-1,4…

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) 0.89 1.51 -52.33 3 5 1 59 299.778 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholino-ethanamine (2R)-2-(8-chloro-2,3-dihydro-1,4…

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) 0.89 1.56 -52.24 3 5 1 59 299.778 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylmorpholin-4-yl]ethanamine (2R)-2-(5-chloro-2,3-dihydro-1,4…

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) 1.25 2.31 -51.25 3 5 1 59 313.805 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2S)-2-methylmorpholin-4-yl]ethanamine (2R)-2-(5-chloro-2,3-dihydro-1,4…

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) 1.25 2.24 -52.37 3 5 1 59 313.805 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholino-ethanamine (2S)-2-(8-bromo-2,3-dihydro-1,4-…

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 1.63 -52.08 3 5 1 59 344.229 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholino-ethanamine (2R)-2-(8-bromo-2,3-dihydro-1,4-…

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 1.68 -52.04 3 5 1 59 344.229 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R)-2-methylmorpholin-4-yl]ethanamine (2R)-2-(2,3-dihydro-1,4-benzodio…

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 1.78 -48.24 3 5 1 59 279.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2S)-2-methylmorpholin-4-yl]ethanamine (2R)-2-(2,3-dihydro-1,4-benzodio…

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 1.7 -51.04 3 5 1 59 279.36 3 ↓

Parameters Provided:

ring.id = 47182
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 = 47182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=47182&filter.purchasability=annotated

Embed Link to Results