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Analogs

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Popular Name: (7Z)-3-[2-(4-fluorophenyl)ethyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (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) 4.02 9.81 -13.04 0 5 0 56 416.452 4 ↓
Lo Low (pH 4.5-6) 4.02 12.68 -59.81 1 5 1 57 417.46 4 ↓

Analogs

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Popular Name: (7Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]ben (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) 3.50 8.93 -16.04 0 7 0 74 458.514 6 ↓
Mid Mid (pH 6-8) 3.50 11.81 -61.54 1 7 1 75 459.522 6 ↓

Analogs

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Popular Name: (7Z)-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxa (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) 3.91 9.04 -13.28 0 6 0 65 428.488 5 ↓
Mid Mid (pH 6-8) 3.91 11.91 -57.13 1 6 1 66 429.496 5 ↓

Analogs

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Popular Name: (7Z)-3-[2-(4-chlorophenyl)ethyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (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) 4.54 10.26 -12.31 0 5 0 56 432.907 4 ↓
Lo Low (pH 4.5-6) 4.54 13.14 -58.5 1 5 1 57 433.915 4 ↓

Analogs

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Popular Name: (7Z)-3-[2-(2,4-dichlorophenyl)ethyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benz (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) 5.14 10.65 -12.71 0 5 0 56 467.352 4 ↓
Lo Low (pH 4.5-6) 5.14 13.54 -56.11 1 5 1 57 468.36 4 ↓

Analogs

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Popular Name: (7Z)-3-[2-(2-chlorophenyl)ethyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (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) 4.49 10.14 -12.27 0 5 0 56 432.907 4 ↓
Lo Low (pH 4.5-6) 4.49 13.03 -51.95 1 5 1 57 433.915 4 ↓

Analogs

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Popular Name: (7Z)-3-[2-(2-methoxyphenyl)ethyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxa (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) 3.87 9.09 -12.83 0 6 0 65 428.488 5 ↓
Lo Low (pH 4.5-6) 3.87 11.98 -51.18 1 6 1 66 429.496 5 ↓

Parameters Provided:

ring.id = 551168
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 = 551168 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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