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Analogs

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

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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) 5.95 12.48 -11.28 0 4 0 43 441.502 5 ↓
Lo Low (pH 4.5-6) 5.95 15.36 -58.31 1 4 1 44 442.51 5 ↓

Analogs

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Popular Name: (7Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2- (7Z)-3-[2-(3,4-dimethoxyphenyl)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) 5.43 11.61 -14.29 0 6 0 61 483.564 7 ↓
Mid Mid (pH 6-8) 5.43 14.49 -60.07 1 6 1 62 484.572 7 ↓

Analogs

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

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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) 5.84 11.71 -11.47 0 5 0 52 453.538 6 ↓
Mid Mid (pH 6-8) 5.84 14.59 -55.58 1 5 1 53 454.546 6 ↓

Analogs

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

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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) 6.46 12.94 -10.6 0 4 0 43 457.957 5 ↓
Lo Low (pH 4.5-6) 6.46 15.81 -56.97 1 4 1 44 458.965 5 ↓

Analogs

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Popular Name: (7Z)-3-[2-(2,4-dichlorophenyl)ethyl]-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g (7Z)-3-[2-(2,4-dichlorophenyl)et…

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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) 7.07 13.33 -10.91 0 4 0 43 492.402 5 ↓
Lo Low (pH 4.5-6) 7.07 16.22 -54.68 1 4 1 44 493.41 5 ↓

Analogs

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

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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) 6.41 12.82 -10.56 0 4 0 43 457.957 5 ↓
Lo Low (pH 4.5-6) 6.41 15.71 -50.52 1 4 1 44 458.965 5 ↓

Analogs

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

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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) 5.79 11.77 -11.08 0 5 0 52 453.538 6 ↓
Lo Low (pH 4.5-6) 5.79 14.66 -49.71 1 5 1 53 454.546 6 ↓

Parameters Provided:

ring.id = 550907
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 = 550907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=550907&filter.purchasability=annotated

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