UCSF
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Analogs

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Popular Name: (7Z)-9-methyl-7-[(1-methylindol-3-yl)methylene]-3-(3-phenylpropyl)-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-9-methyl-7-[(1-methylindol-…

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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) 5.76 13.65 -12.31 0 5 0 48 464.565 5 ↓
Mid Mid (pH 6-8) 5.76 16.51 -54.17 1 5 1 49 465.573 5 ↓

Analogs

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-9-methyl-3-(3-phenylpropyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-7-[(1-ethylindol-3-yl)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) 6.14 14.56 -11.94 0 5 0 48 478.592 6 ↓
Mid Mid (pH 6-8) 6.14 17.43 -53.79 1 5 1 49 479.6 6 ↓

Analogs

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Popular Name: (7Z)-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-3-(3-phenylpropyl)-2,4-dihydrofuro[3,2-g] (7Z)-7-[(5-methoxy-1-methyl-indo…

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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) 5.80 12.94 -14.25 0 6 0 57 494.591 6 ↓
Mid Mid (pH 6-8) 5.80 15.8 -55.98 1 6 1 58 495.599 6 ↓

Analogs

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Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-3-(3-phenylpropyl)-2,4-dihydrofuro[3,2-g][ (7Z)-7-[(1-ethyl-5-methoxy-indol…

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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) 6.17 13.85 -13.85 0 6 0 57 508.618 7 ↓
Mid Mid (pH 6-8) 6.17 16.72 -55.56 1 6 1 58 509.626 7 ↓

Parameters Provided:

ring.id = 551066
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 = 551066 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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