UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: [2-oxo-2-(4-propylphenyl)-ethyl] [2-oxo-2-(4-propylphenyl)-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) 5.20 14.1 -15.12 0 5 0 61 382.847 8 ↓

Analogs

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Popular Name: [2-oxo-2-(2,4,6-trimethylphenyl)-ethyl] [2-oxo-2-(2,4,6-trimethylphenyl)…

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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) 5.10 13.78 -15 0 5 0 61 382.847 6 ↓

Analogs

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Popular Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] [2-(3,4-dimethoxyphenyl)-2-oxo-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) 3.54 2.91 -18.47 0 7 0 79 400.818 8 ↓

Analogs

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Popular Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] [2-(4-ethoxyphenyl)-2-oxo-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) 4.33 2.59 -16.06 0 6 0 69 384.819 8 ↓

Analogs

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Popular Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] [2-(2,5-dimethylphenyl)-2-oxo-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) 4.72 13.09 -14.65 0 5 0 61 368.82 6 ↓

Analogs

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Popular Name: [2-(4-ethylphenyl)-2-oxo-ethyl] [2-(4-ethylphenyl)-2-oxo-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) 4.81 13.31 -15.23 0 5 0 61 368.82 7 ↓

Analogs

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Popular Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] [2-(3,4-difluorophenyl)-2-oxo-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) 4.15 11.98 -17.42 0 5 0 61 376.746 6 ↓

Analogs

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Popular Name: [2-oxo-2-(4-propanoylaminophenyl)-ethyl] [2-oxo-2-(4-propanoylaminophenyl…

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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 1.5 -19.63 1 7 0 89 411.845 8 ↓

Analogs

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Popular Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] [2-(4-ethylphenyl)-1-methyl-2-ox…

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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) 5.17 13.83 -14.92 0 5 0 61 382.847 7 ↓

Analogs

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Popular Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] [2-(2,4-dimethoxyphenyl)-2-oxo-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) 3.94 3.12 -19.2 0 7 0 79 400.818 8 ↓

Analogs

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Popular Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] [2-(4-methoxyphenyl)-1-methyl-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) 4.32 2.92 -16.23 0 6 0 69 384.819 7 ↓

Analogs

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Popular Name: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] [2-(4-methoxyphenyl)-1-methyl-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) 4.32 2.92 -15.83 0 6 0 69 384.819 7 ↓

Analogs

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Popular Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] [2-(4-methoxyphenyl)-2-oxo-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) 3.95 11.17 -16.1 0 6 0 70 370.792 7 ↓

Analogs

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Popular Name: [2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] [2-(4-fluorophenyl)-1-methyl-2-o…

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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 12.46 -14.55 0 5 0 61 372.783 6 ↓

Analogs

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Popular Name: [2-(4-chlorophenyl)-2-oxo-ethyl] [2-(4-chlorophenyl)-2-oxo-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) 4.58 12.39 -14.75 0 5 0 61 375.211 6 ↓

Analogs

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Popular Name: [2-(4-fluorophenyl)-2-oxo-ethyl] [2-(4-fluorophenyl)-2-oxo-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) 4.06 3.27 -14.93 0 5 0 60 358.756 6 ↓

Analogs

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Popular Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] [2-(4-isopropylphenyl)-2-oxo-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) 5.41 13.79 -15.05 0 5 0 61 382.847 7 ↓

Analogs

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Popular Name: phenacyl phenacyl

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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) 3.90 11.86 -15.63 0 5 0 61 340.766 6 ↓

Parameters Provided:

ring.id = 1440
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 = 1440 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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