UCSF
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Popular Name: (7Z)-3-(2-furylmethyl)-9-methyl-7-[(1-methylindol-3-yl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-3-(2-furylmethyl)-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) 4.10 10.17 -13.56 0 6 0 61 426.472 3 ↓
Lo Low (pH 4.5-6) 4.10 13.03 -51.57 1 6 1 62 427.48 3 ↓

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Popular Name: (7Z)-7-[(1-ethylindol-3-yl)methylene]-3-(2-furylmethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (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) 4.47 11.1 -13.12 0 6 0 61 440.499 4 ↓
Lo Low (pH 4.5-6) 4.47 13.95 -51.2 1 6 1 62 441.507 4 ↓

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

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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) 4.13 9.46 -15.39 0 7 0 70 456.498 4 ↓
Lo Low (pH 4.5-6) 4.13 12.33 -53.27 1 7 1 71 457.506 4 ↓

Analogs

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Popular Name: (7Z)-7-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-(2-furylmethyl)-9-methyl-2,4-dihydrofuro[3,2-g][1 (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) 4.51 10.39 -14.95 0 7 0 70 470.525 5 ↓
Lo Low (pH 4.5-6) 4.51 13.24 -52.93 1 7 1 71 471.533 5 ↓

Parameters Provided:

ring.id = 551086
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 = 551086 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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