UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(2-fluorophenyl)-2-[6-(morphol…

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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) 0.62 4.87 -23.86 1 7 0 81 362.357 6 ↓
Lo Low (pH 4.5-6) 0.62 7.17 -66.54 2 7 1 82 363.365 6 ↓

Analogs

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Popular Name: N-(3,5-dichlorophenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(3,5-dichlorophenyl)-2-[6-(mor…

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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) 1.79 5.79 -26.04 1 7 0 81 413.257 6 ↓
Lo Low (pH 4.5-6) 1.79 8.09 -69.93 2 7 1 82 414.265 6 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(2-chlorophenyl)-2-[6-(morphol…

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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) 1.13 5.37 -23.38 1 7 0 81 378.812 6 ↓
Lo Low (pH 4.5-6) 1.13 7.67 -66.12 2 7 1 82 379.82 6 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(3-chloro-4-fluoro-phenyl)-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) 1.27 5.33 -25.81 1 7 0 81 396.802 6 ↓
Lo Low (pH 4.5-6) 1.27 7.63 -70.02 2 7 1 82 397.81 6 ↓

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(3,5-dimethoxyphenyl)-2-[6-(mo…

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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) 0.54 3.37 -29.71 1 9 0 99 404.419 8 ↓
Lo Low (pH 4.5-6) 0.54 5.67 -72.6 2 9 1 101 405.427 8 ↓

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(2,5-dichlorophenyl)-2-[6-(mor…

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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) 1.79 5.88 -24.18 1 7 0 81 413.257 6 ↓
Lo Low (pH 4.5-6) 1.79 8.18 -67.26 2 7 1 82 414.265 6 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(4-fluorophenyl)-2-[6-(morphol…

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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) 0.67 4.83 -27.18 1 7 0 81 362.357 6 ↓
Lo Low (pH 4.5-6) 0.67 7.13 -71.05 2 7 1 82 363.365 6 ↓

Analogs

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Popular Name: 2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-N-phenyl-acetamide 2-[6-(morpholinomethyl)-4-oxo-py…

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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) 0.50 4.76 -26.7 1 7 0 81 344.367 6 ↓
Lo Low (pH 4.5-6) 0.50 7.06 -69.82 2 7 1 82 345.375 6 ↓

Analogs

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Popular Name: 2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]acetamide 2-[6-(morpholinomethyl)-4-oxo-py…

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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) 1.37 5.78 -30.05 1 7 0 81 412.364 7 ↓
Lo Low (pH 4.5-6) 1.37 8.08 -73.45 2 7 1 82 413.372 7 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(3-chlorophenyl)-2-[6-(morphol…

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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) 1.16 5.28 -24.97 1 7 0 81 378.812 6 ↓
Lo Low (pH 4.5-6) 1.16 7.58 -68.49 2 7 1 82 379.82 6 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(5-chloro-2-methoxy-phenyl)-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) 1.17 4.69 -26.46 1 8 0 90 408.838 7 ↓
Lo Low (pH 4.5-6) 1.17 6.98 -69.17 2 8 1 91 409.846 7 ↓

Analogs

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Popular Name: N-(3-methylsulfanylphenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(3-methylsulfanylphenyl)-2-[6-…

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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) 0.91 5.79 -25.96 1 7 0 81 390.461 7 ↓
Lo Low (pH 4.5-6) 0.91 8.08 -69.03 2 7 1 82 391.469 7 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(3-methoxyphenyl)-2-[6-(morpho…

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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) 0.54 4.06 -26.57 1 8 0 90 374.393 7 ↓
Lo Low (pH 4.5-6) 0.54 6.36 -69.62 2 8 1 91 375.401 7 ↓

Analogs

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Popular Name: N-(2,4-dichlorophenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(2,4-dichlorophenyl)-2-[6-(mor…

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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) 1.79 5.88 -22.36 1 7 0 81 413.257 6 ↓
Lo Low (pH 4.5-6) 1.79 8.18 -65.84 2 7 1 82 414.265 6 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(2,5-dimethoxyphenyl)-2-[6-(mo…

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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) 0.54 3.46 -28.7 1 9 0 99 404.419 8 ↓
Lo Low (pH 4.5-6) 0.54 5.76 -70.97 2 9 1 101 405.427 8 ↓

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-[4-chloro-3-(trifluoromethyl)p…

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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) 2.00 6.19 -25.5 1 7 0 81 446.809 7 ↓
Lo Low (pH 4.5-6) 2.00 8.48 -69.85 2 7 1 82 447.817 7 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(4-methoxyphenyl)-2-[6-(morpho…

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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) 0.56 4.06 -27.45 1 8 0 90 374.393 7 ↓
Lo Low (pH 4.5-6) 0.56 6.35 -70.89 2 8 1 91 375.401 7 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[6-(morpholinomethyl)-4-oxo-pyran-3-yl]oxy-acetamide N-(3-acetylphenyl)-2-[6-(morphol…

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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) 0.38 5.18 -37.01 1 8 0 98 386.404 7 ↓
Lo Low (pH 4.5-6) 0.38 7.55 -79.29 2 8 1 99 387.412 7 ↓

Parameters Provided:

ring.id = 582732
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 = 582732 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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