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Analogs

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Popular Name: (7Z)-3-[2-(4-fluorophenyl)ethyl]-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (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) 4.45 9.99 -12.73 0 5 0 56 405.425 4 ↓
Lo Low (pH 4.5-6) 4.45 12.85 -59.42 1 5 1 57 406.433 4 ↓

Analogs

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Popular Name: (7Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzo (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) 3.93 9.12 -15.75 0 7 0 74 447.487 6 ↓
Mid Mid (pH 6-8) 3.93 11.98 -61.22 1 7 1 75 448.495 6 ↓

Analogs

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

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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) 4.34 9.22 -12.92 0 6 0 65 417.461 5 ↓
Mid Mid (pH 6-8) 4.34 12.08 -56.81 1 6 1 66 418.469 5 ↓

Analogs

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Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (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) 4.96 10.44 -11.98 0 5 0 56 421.88 4 ↓
Lo Low (pH 4.5-6) 4.96 13.3 -58.11 1 5 1 57 422.888 4 ↓

Analogs

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Popular Name: (7Z)-3-[2-(2,4-dichlorophenyl)ethyl]-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzox (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) 5.57 10.84 -12.28 0 5 0 56 456.325 4 ↓
Lo Low (pH 4.5-6) 5.57 13.71 -55.75 1 5 1 57 457.333 4 ↓

Analogs

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Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (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) 4.92 10.33 -12.03 0 5 0 56 421.88 4 ↓
Lo Low (pH 4.5-6) 4.92 13.2 -51.65 1 5 1 57 422.888 4 ↓

Analogs

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

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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) 4.29 9.28 -12.56 0 6 0 65 417.461 5 ↓
Lo Low (pH 4.5-6) 4.29 12.15 -50.84 1 6 1 66 418.469 5 ↓

Analogs

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Popular Name: (7Z)-3-[2-(4-fluorophenyl)ethyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3 (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) 4.67 10.8 -12.92 0 5 0 56 419.452 4 ↓
Lo Low (pH 4.5-6) 4.67 13.68 -59.57 1 5 1 57 420.46 4 ↓

Analogs

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Popular Name: (7Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g (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) 4.15 9.93 -15.99 0 7 0 74 461.514 6 ↓
Mid Mid (pH 6-8) 4.15 12.81 -61.36 1 7 1 75 462.522 6 ↓

Analogs

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Popular Name: (7Z)-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-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) 4.56 10.04 -13.13 0 6 0 65 431.488 5 ↓
Mid Mid (pH 6-8) 4.56 12.91 -57 1 6 1 66 432.496 5 ↓

Analogs

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Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3 (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) 5.18 11.26 -12.17 0 5 0 56 435.907 4 ↓
Lo Low (pH 4.5-6) 5.18 14.13 -58.31 1 5 1 57 436.915 4 ↓

Analogs

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Popular Name: (7Z)-3-[2-(2,4-dichlorophenyl)ethyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-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) 5.79 11.65 -12.57 0 5 0 56 470.352 4 ↓
Lo Low (pH 4.5-6) 5.79 14.54 -56.02 1 5 1 57 471.36 4 ↓

Analogs

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Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3 (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) 5.14 11.14 -12.25 0 5 0 56 435.907 4 ↓
Lo Low (pH 4.5-6) 5.14 14.03 -51.87 1 5 1 57 436.915 4 ↓

Analogs

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Popular Name: (7Z)-3-[2-(2-methoxyphenyl)ethyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-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) 4.52 10.09 -12.73 0 6 0 65 431.488 5 ↓
Lo Low (pH 4.5-6) 4.52 12.98 -51.04 1 6 1 66 432.496 5 ↓

Parameters Provided:

ring.id = 550704
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 = 550704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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