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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35894307
35894307
35894309
35894309
35894311
35894311
35870151
35870151
35870152
35870152

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-N-(2-morpholinoethyl)-8-nitro-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxa (4aS,5S)-N-(2-morpholinoethyl)-8…

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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) 1.15 3.64 -16.97 1 9 0 100 390.44 5 ↓
Mid Mid (pH 6-8) 1.15 5.91 -53.12 2 9 1 101 391.448 5 ↓

Analogs

35894309
35894309
35894311
35894311
35870151
35870151
35870152
35870152
35894305
35894305

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-N-(2-morpholinoethyl)-8-nitro-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxa (4aS,5R)-N-(2-morpholinoethyl)-8…

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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) 1.15 3.85 -14.98 1 9 0 100 390.44 5 ↓
Mid Mid (pH 6-8) 1.15 6.12 -50.97 2 9 1 101 391.448 5 ↓

Analogs

35894311
35894311
35870151
35870151
35870152
35870152
35870802
35870802
35870804
35870804

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-N-(2-morpholinoethyl)-8-nitro-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxa (4aR,5S)-N-(2-morpholinoethyl)-8…

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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) 1.15 3.85 -14.95 1 9 0 100 390.44 5 ↓
Mid Mid (pH 6-8) 1.15 6.12 -50.75 2 9 1 101 391.448 5 ↓

Analogs

35870151
35870151
35870152
35870152
35870802
35870802
35870804
35870804
35894305
35894305

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5R)-N-(2-morpholinoethyl)-8-nitro-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoline-5-carboxa (4aR,5R)-N-(2-morpholinoethyl)-8…

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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) 1.15 3.63 -17.07 1 9 0 100 390.44 5 ↓
Mid Mid (pH 6-8) 1.15 5.9 -53.35 2 9 1 101 391.448 5 ↓

Analogs

35894961
35894961
35894962
35894962
35894964
35894964
35871164
35871164
35871165
35871165

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-N-(2-morpholinoethyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoli (4aS,5S)-N-(2-morpholinoethyl)-8…

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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) 2.09 3.96 -13.66 1 6 0 54 413.44 5 ↓
Mid Mid (pH 6-8) 2.09 6.22 -49.23 2 6 1 55 414.448 5 ↓

Analogs

35894962
35894962
35894964
35894964
35871164
35871164
35871165
35871165
35871854
35871854

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-N-(2-morpholinoethyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoli (4aS,5R)-N-(2-morpholinoethyl)-8…

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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) 2.09 4.17 -11.48 1 6 0 54 413.44 5 ↓
Mid Mid (pH 6-8) 2.09 6.43 -46.93 2 6 1 55 414.448 5 ↓

Analogs

35894964
35894964
35871164
35871164
35871165
35871165
35871854
35871854
35871855
35871855

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-N-(2-morpholinoethyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoli (4aR,5S)-N-(2-morpholinoethyl)-8…

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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) 2.09 4.17 -11.5 1 6 0 54 413.44 5 ↓
Mid Mid (pH 6-8) 2.09 6.43 -46.77 2 6 1 55 414.448 5 ↓

Analogs

35871164
35871164
35871165
35871165
35871854
35871854
35871855
35871855
35894959
35894959

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5R)-N-(2-morpholinoethyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinoli (4aR,5R)-N-(2-morpholinoethyl)-8…

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) 2.09 3.95 -13.58 1 6 0 54 413.44 5 ↓
Mid Mid (pH 6-8) 2.09 6.21 -49.35 2 6 1 55 414.448 5 ↓

Parameters Provided:

ring.id = 41962
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 = 41962 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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