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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7Z)-3-(1,3-benzodioxol-5-ylmethyl)-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g (7Z)-3-(1,3-benzodioxol-5-ylmeth…

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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) 4.73 10.67 -15.25 0 7 0 66 480.52 3 ↓
Lo Low (pH 4.5-6) 4.73 13.53 -59.91 1 7 1 67 481.528 3 ↓

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Popular Name: (7Z)-3-(1,3-benzodioxol-5-ylmethyl)-7-[(1-ethylindol-3-yl)methylene]-9-methyl-2,4-dihydrofuro[3,2-g] (7Z)-3-(1,3-benzodioxol-5-ylmeth…

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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) 5.11 11.59 -14.77 0 7 0 66 494.547 4 ↓
Lo Low (pH 4.5-6) 5.11 14.45 -59.53 1 7 1 67 495.555 4 ↓

Analogs

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Popular Name: (7Z)-3-(1,3-benzodioxol-5-ylmethyl)-7-[(5-methoxy-1-methyl-indol-3-yl)methylene]-9-methyl-2,4-dihydr (7Z)-3-(1,3-benzodioxol-5-ylmeth…

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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) 4.76 9.95 -16.98 0 8 0 75 510.546 4 ↓
Lo Low (pH 4.5-6) 4.76 12.83 -61.67 1 8 1 77 511.554 4 ↓

Analogs

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Popular Name: (7Z)-3-(1,3-benzodioxol-5-ylmethyl)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-9-methyl-2,4-dihydro (7Z)-3-(1,3-benzodioxol-5-ylmeth…

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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) 5.14 10.88 -16.66 0 8 0 75 524.573 5 ↓
Lo Low (pH 4.5-6) 5.14 13.74 -61.17 1 8 1 77 525.581 5 ↓

Parameters Provided:

ring.id = 551093
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 = 551093 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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