UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-oxo-2-phenylethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-oxo-2-phenylethyl 2-(1,3-dioxo…

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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) 3.66 13 -15.87 0 6 0 81 389.407 6 ↓

Analogs

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Popular Name: 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate 2-(3,4-dimethylphenyl)-2-oxoethy…

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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) 4.48 14.25 -15.82 0 6 0 81 417.461 6 ↓
Ref Reference (pH 7) 4.48 14.25 -15.82 0 6 0 81 417.461 6 ↓

Analogs

1163372
1163372

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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) 3.59 13.67 -14.55 0 9 0 127 434.404 7 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-oxo-2-phenyl-ethyl] [(1R)-1-methyl-2-oxo-2-phenyl-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) 4.02 13.54 -16.79 0 6 0 81 403.434 6 ↓
Ref Reference (pH 7) 4.02 13.56 -15.78 0 6 0 81 403.434 6 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-oxo-2-phenyl-ethyl] [(1S)-1-methyl-2-oxo-2-phenyl-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) 4.02 13.52 -15.85 0 6 0 81 403.434 6 ↓
Ref Reference (pH 7) 4.02 13.5 -16.63 0 6 0 81 403.434 6 ↓

Analogs

1171219
1171219

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Popular Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] [2-(4-methyl-3-nitro-phenyl)-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) 3.99 14.36 -21.22 0 9 0 127 448.431 7 ↓
Ref Reference (pH 7) 3.99 14.36 -21.21 0 9 0 127 448.431 7 ↓

Analogs

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Popular Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] [2-(3-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) 3.69 12.33 -17.8 0 7 0 90 419.433 7 ↓

Analogs

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Popular Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] [2-(3-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) 3.69 12.29 -17.82 0 7 0 90 419.433 7 ↓

Analogs

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Popular Name: [2-(4-nitrophenyl)-2-oxo-ethyl] [2-(4-nitrophenyl)-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) 3.62 13.73 -18.38 0 9 0 127 434.404 7 ↓
Ref Reference (pH 7) 3.62 13.75 -17.36 0 9 0 127 434.404 7 ↓

Analogs

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Popular Name: [2-(4-nitrophenyl)-2-oxo-ethyl] [2-(4-nitrophenyl)-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) 3.62 13.67 -17.4 0 9 0 127 434.404 7 ↓

Parameters Provided:

ring.id = 41129
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 = 41129 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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