UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15944810
15944810

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Popular Name: 2-[[4-[(Z)-(dioxoBLAHyl)iminomethyl]phenoxy]methyl]benzonitrile 2-[[4-[(Z)-(dioxoBLAHyl)iminomet…

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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 11.99 -17.04 0 6 0 83 423.472 5 ↓

Analogs

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Popular Name: [(2S)-tetrahydrofuran-2-yl]methylBLAHdione [(2S)-tetrahydrofuran-2-yl]methy…

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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) 1.08 6.31 -8.43 0 4 0 47 273.332 2 ↓

Analogs

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Popular Name: (2R)-2-(dioxoBLAHyl)hexanoic (2R)-2-(dioxoBLAHyl)hexanoic

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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) 0.42 9.94 -55.99 0 5 -1 78 302.35 5 ↓

Analogs

34679226
34679226
34679227
34679227

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Popular Name: (2S)-2-(dioxoBLAHyl)hexanoic (2S)-2-(dioxoBLAHyl)hexanoic

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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) 0.42 9.84 -52.99 0 5 -1 78 302.35 5 ↓

Analogs

34679226
34679226
34679227
34679227

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Popular Name: (2R)-2-(dioxoBLAHyl)hexanoic (2R)-2-(dioxoBLAHyl)hexanoic

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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) 0.42 9.22 -53.91 0 5 -1 78 302.35 5 ↓

Analogs

34679226
34679226
34679227
34679227

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Popular Name: (2S)-2-(dioxoBLAHyl)hexanoic (2S)-2-(dioxoBLAHyl)hexanoic

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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) 0.42 8.4 -54.59 0 5 -1 78 302.35 5 ↓

Analogs

16619882
16619882
16619883
16619883

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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) 4.32 15.08 -11.79 0 6 0 81 455.938 9 ↓

Analogs

16619882
16619882
16619883
16619883

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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) 4.32 14.94 -11.1 0 6 0 81 455.938 9 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)BLAHdione (3,4-dimethylphenyl)BLAHdione

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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) 3.23 9.64 -9.73 0 3 0 37 293.366 1 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)BLAHdione (3,4-dimethylphenyl)BLAHdione

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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) 3.23 9.76 -6.76 0 3 0 37 293.366 1 ↓

Parameters Provided:

ring.id = 12011
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 = 12011 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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