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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2E)-8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2E)-8-[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) 3.96 9.2 -10.57 0 5 0 56 416.452 4 ↓
Lo Low (pH 4.5-6) 3.96 12.05 -56.96 1 5 1 57 417.46 4 ↓

Analogs

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Popular Name: (2E)-8-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]ben (2E)-8-[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) 3.44 8.33 -13.63 0 7 0 74 458.514 6 ↓
Lo Low (pH 4.5-6) 3.44 11.18 -58.83 1 7 1 75 459.522 6 ↓

Analogs

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Popular Name: (2E)-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2E)-8-[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) 3.85 8.44 -10.83 0 6 0 65 428.488 5 ↓
Lo Low (pH 4.5-6) 3.85 11.28 -54.36 1 6 1 66 429.496 5 ↓

Analogs

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Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2E)-8-[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) 4.47 9.66 -9.86 0 5 0 56 432.907 4 ↓
Lo Low (pH 4.5-6) 4.47 12.5 -55.67 1 5 1 57 433.915 4 ↓

Analogs

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Popular Name: (2E)-8-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benz (2E)-8-[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) 5.08 10.05 -10.3 0 5 0 56 467.352 4 ↓

Analogs

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Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-[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) 4.42 9.7 -10.19 0 5 0 56 432.907 4 ↓
Lo Low (pH 4.5-6) 4.42 12.56 -52.05 1 5 1 57 433.915 4 ↓

Analogs

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Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[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) 3.80 8.65 -10.75 0 6 0 65 428.488 5 ↓
Lo Low (pH 4.5-6) 3.80 11.51 -51.21 1 6 1 66 429.496 5 ↓

Analogs

13690910
13690910
13690088
13690088
8993131
8993131

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Popular Name: (2Z)-8-[2-(4-chlorophenyl)ethyl]-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[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) 4.09 9.17 -10.29 0 5 0 56 418.88 4 ↓
Lo Low (pH 4.5-6) 4.09 12.02 -59.08 1 5 1 57 419.888 4 ↓

Analogs

13690910
13690910
13690088
13690088
8993131
8993131

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Popular Name: (2Z)-8-[2-(2,4-dichlorophenyl)ethyl]-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3- (2Z)-8-[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) 4.70 9.56 -10.64 0 5 0 56 453.325 4 ↓

Analogs

13690910
13690910
13690088
13690088
8993131
8993131

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Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[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) 4.04 9.04 -10.28 0 5 0 56 418.88 4 ↓

Analogs

13690910
13690910
13690088
13690088
8993131
8993131

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Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-2-(3-pyridylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-[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) 3.42 7.99 -10.79 0 6 0 65 414.461 5 ↓
Lo Low (pH 4.5-6) 3.42 10.86 -51.47 1 6 1 66 415.469 5 ↓

Parameters Provided:

ring.id = 559862
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 = 559862 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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