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

Analogs

43705556
43705556
43705557
43705557
43705558
43705558
43705559
43705559

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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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) 1.21 3.95 -13.96 1 5 0 51 262.309 1 ↓

Analogs

43705556
43705556
43705557
43705557
43705558
43705558
43705559
43705559

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(2S)-2-methylmorpholin-4-yl]methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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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) 1.21 3.93 -14.25 1 5 0 51 262.309 1 ↓

Analogs

43705556
43705556
43705557
43705557
43705558
43705558
43705559
43705559

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone [(2R)-3,4-dihydro-2H-1,4-benzoxa…

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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) 1.21 3.94 -14.27 1 5 0 51 262.309 1 ↓

Analogs

43705556
43705556
43705557
43705557
43705558
43705558
43705559
43705559

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(2S)-2-methylmorpholin-4-yl]methanone [(2R)-3,4-dihydro-2H-1,4-benzoxa…

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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) 1.21 3.97 -13.96 1 5 0 51 262.309 1 ↓

Analogs

43427564
43427564
43427565
43427565
43427566
43427566
43427567
43427567

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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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) 2.08 5.67 -12.03 1 5 0 51 290.363 2 ↓

Analogs

43427564
43427564
43427565
43427565
43427566
43427566
43427567
43427567

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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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) 2.08 5 -11.41 1 5 0 51 290.363 2 ↓

Analogs

43427564
43427564
43427565
43427565
43427566
43427566
43427567
43427567

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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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) 2.08 5.03 -11.14 1 5 0 51 290.363 2 ↓

Analogs

43427564
43427564
43427565
43427565
43427566
43427566
43427567
43427567

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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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) 2.08 5.71 -11.89 1 5 0 51 290.363 2 ↓

Analogs

12538970
12538970

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Popular Name: 2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide 2-[(2S)-2-(morpholine-4-carbonyl…

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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) -0.17 0.79 -14.56 2 7 0 85 305.334 3 ↓

Analogs

12538968
12538968

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide 2-[(2R)-2-(morpholine-4-carbonyl…

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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) -0.17 0.76 -14.69 2 7 0 85 305.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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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) 1.66 4.31 -11.85 1 5 0 51 276.336 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(3,3-dimethylmorpholin-4-yl)methanone [(2R)-3,4-dihydro-2H-1,4-benzoxa…

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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) 1.66 4.37 -11.6 1 5 0 51 276.336 1 ↓

Analogs

3888934
3888934
3888935
3888935

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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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) 2.02 5.46 -11.97 1 5 0 51 290.363 1 ↓

Analogs

3888934
3888934
3888935
3888935

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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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) 2.02 5.48 -12.05 1 5 0 51 290.363 1 ↓

Analogs

3888934
3888934
3888935
3888935

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone [(2R)-3,4-dihydro-2H-1,4-benzoxa…

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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) 2.02 5.47 -12.06 1 5 0 51 290.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone [(2R)-3,4-dihydro-2H-1,4-benzoxa…

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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) 2.02 5.46 -11.97 1 5 0 51 290.363 1 ↓

Parameters Provided:

ring.id = 48729
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 = 48729 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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