UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43702578
43702578
43702580
43702580

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Popular Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone 2,3-dihydro-1,4-benzodioxin-5-yl…

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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) 1.71 5.33 -12.6 0 5 0 48 277.32 1 ↓

Analogs

43702578
43702578
43702580
43702580

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone 2,3-dihydro-1,4-benzodioxin-5-yl…

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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) 1.71 5.5 -12.45 0 5 0 48 277.32 1 ↓

Analogs

43702578
43702578
43702580
43702580

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone 2,3-dihydro-1,4-benzodioxin-5-yl…

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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) 1.71 5.51 -12.2 0 5 0 48 277.32 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dihydro-1,4-benzodioxin-8-yl(morpholino)methanone 2,3-dihydro-1,4-benzodioxin-8-yl…

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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) 0.98 3.87 -12.99 0 5 0 48 249.266 1 ↓

Analogs

43702578
43702578
43702580
43702580

Draw Identity 99% 90% 80% 70%

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

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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) 1.34 4.59 -12.7 0 5 0 48 263.293 1 ↓

Analogs

43702578
43702578
43702580
43702580

Draw Identity 99% 90% 80% 70%

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

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) 1.34 4.59 -12.81 0 5 0 48 263.293 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-ethylmorpholin-4-yl]methanone 2,3-dihydro-1,4-benzodioxin-5-yl…

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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) 1.85 5.41 -12.62 0 5 0 48 277.32 2 ↓

Analogs

43702578
43702578
43702580
43702580

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[(2S)-2-ethylmorpholin-4-yl]methanone 2,3-dihydro-1,4-benzodioxin-5-yl…

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) 1.85 5.41 -12.62 0 5 0 48 277.32 2 ↓

Parameters Provided:

ring.id = 308321
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 = 308321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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