UCSF
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Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-(4-methyl-4-piperidyl)methanone 2,3-dihydro-1,4-benzoxazin-4-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) 1.68 4.98 -45.31 2 4 1 46 261.345 1 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-(4-ethyl-4-piperidyl)methanone 2,3-dihydro-1,4-benzoxazin-4-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) 2.02 5.82 -47.56 2 4 1 46 275.372 2 ↓

Analogs

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Popular Name: 2,3-dihydro-1,4-benzoxazin-4-yl-(4-propyl-4-piperidyl)methanone 2,3-dihydro-1,4-benzoxazin-4-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) 2.58 6.24 -45.81 2 4 1 46 289.399 3 ↓

Analogs

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Popular Name: 2,2-dimethyl-1-[4-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-1-piperidyl]propan-1-one 2,2-dimethyl-1-[4-[(2R)-2-methyl…

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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) 3.42 8.33 -18.38 0 5 0 50 344.455 2 ↓

Analogs

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Popular Name: 2,2-dimethyl-1-[4-[(2S)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]-1-piperidyl]propan-1-one 2,2-dimethyl-1-[4-[(2S)-2-methyl…

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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) 3.42 8.31 -18.83 0 5 0 50 344.455 2 ↓

Parameters Provided:

ring.id = 134091
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 = 134091 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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