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Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[2-(4-fluorophenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-7-(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) 5.08 9.87 -13.42 0 6 0 61 459.473 4 ↓
Lo Low (pH 4.5-6) 5.08 12.75 -60.71 1 6 1 62 460.481 4 ↓

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2 (7Z)-7-(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) 4.57 9 -16.45 0 8 0 80 501.535 6 ↓
Mid Mid (pH 6-8) 4.57 11.88 -62.52 1 8 1 81 502.543 6 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][ (7Z)-7-(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) 4.97 9.1 -13.71 0 7 0 70 471.509 5 ↓
Mid Mid (pH 6-8) 4.97 11.98 -58.11 1 7 1 72 472.517 5 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[2-(4-chlorophenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-7-(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) 5.60 10.32 -12.67 0 6 0 61 475.928 4 ↓
Lo Low (pH 4.5-6) 5.60 13.2 -59.41 1 6 1 62 476.936 4 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[2-(2,4-dichlorophenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2- (7Z)-7-(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) 6.20 10.72 -13.02 0 6 0 61 510.373 4 ↓
Lo Low (pH 4.5-6) 6.20 13.61 -57 1 6 1 62 511.381 4 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[2-(2-chlorophenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][1 (7Z)-7-(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) 5.55 10.21 -12.69 0 6 0 61 475.928 4 ↓
Lo Low (pH 4.5-6) 5.55 13.1 -52.86 1 6 1 62 476.936 4 ↓

Analogs

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Popular Name: (7Z)-7-(1,3-benzodioxol-5-ylmethylene)-3-[2-(2-methoxyphenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][ (7Z)-7-(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) 4.93 9.16 -13.23 0 7 0 70 471.509 5 ↓
Mid Mid (pH 6-8) 4.93 12.05 -52.15 1 7 1 72 472.517 5 ↓

Parameters Provided:

ring.id = 550992
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 = 550992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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