UCSF
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Analogs

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Popular Name: (7Z)-3-(2-methoxyethyl)-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-3-(2-methoxyethyl)-9-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) 3.96 7.78 -10.86 0 5 0 52 377.44 5 ↓
Lo Low (pH 4.5-6) 3.96 10.67 -46.71 1 5 1 53 378.448 5 ↓

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Popular Name: (7Z)-3-isopropyl-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-o (7Z)-3-isopropyl-9-methyl-7-[(E)…

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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) 4.65 9.02 -8.62 0 4 0 43 361.441 3 ↓
Mid Mid (pH 6-8) 4.65 12 -43.86 1 4 1 44 362.449 3 ↓

Analogs

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Popular Name: (7Z)-3-(3-methoxypropyl)-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-3-(3-methoxypropyl)-9-methy…

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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) 4.24 8.47 -10.46 0 5 0 52 391.467 6 ↓
Lo Low (pH 4.5-6) 4.24 11.34 -50.31 1 5 1 53 392.475 6 ↓

Analogs

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Popular Name: (7Z)-3-isobutyl-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-on (7Z)-3-isobutyl-9-methyl-7-[(E)-…

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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) 5.10 10.44 -8.63 0 4 0 43 375.468 4 ↓
Mid Mid (pH 6-8) 5.10 12.95 -46.34 1 4 1 44 376.476 4 ↓

Parameters Provided:

ring.id = 550917
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 = 550917 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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