UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32117099
32117099

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Popular Name: benzyl(phenyl)BLAHtrione benzyl(phenyl)BLAHtrione

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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) 2.78 1.04 -10.62 0 7 0 86 388.408 3 ↓

Analogs

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Popular Name: benzyl(2-thienyl)BLAHtrione benzyl(2-thienyl)BLAHtrione

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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) 2.56 0.33 -11.21 0 7 0 86 394.437 3 ↓

Analogs

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Popular Name: (2,3-dimethylphenyl)-phenyl-BLAHtrione (2,3-dimethylphenyl)-phenyl-BLAH…

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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) 3.47 2.41 -12.01 0 7 0 86 402.435 2 ↓

Analogs

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Popular Name: (4-bromophenyl)-phenyl-BLAHtrione (4-bromophenyl)-phenyl-BLAHtrione

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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) 3.27 0.47 -9 0 7 0 86 453.277 2 ↓

Analogs

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Popular Name: (2-chlorophenyl)-phenyl-BLAHtrione (2-chlorophenyl)-phenyl-BLAHtrione

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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) 3.30 1.55 -12.92 0 7 0 86 408.826 2 ↓

Analogs

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Popular Name: (2,3-dichlorophenyl)-phenyl-BLAHtrione (2,3-dichlorophenyl)-phenyl-BLAH…

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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) 3.93 1.42 -13.22 0 7 0 86 443.271 2 ↓

Analogs

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Popular Name: (3,4-dichlorophenyl)-phenyl-BLAHtrione (3,4-dichlorophenyl)-phenyl-BLAH…

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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 0.95 -10.02 0 7 0 86 443.271 2 ↓

Analogs

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Popular Name: (4-ethylphenyl)-phenyl-BLAHtrione (4-ethylphenyl)-phenyl-BLAHtrione

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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) 3.37 11.39 -9.84 0 7 0 86 402.435 3 ↓

Analogs

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Popular Name: (4-iodophenyl)-methyl-BLAHtrione (4-iodophenyl)-methyl-BLAHtrione

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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) 2.09 0.2 -7.66 0 7 0 86 438.206 1 ↓

Analogs

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Popular Name: (4-iodophenyl)BLAHtrione (4-iodophenyl)BLAHtrione

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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) 1.45 0.09 -8.12 0 7 0 86 424.179 1 ↓

Analogs

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Popular Name: (4-iodophenyl)-phenyl-BLAHtrione (4-iodophenyl)-phenyl-BLAHtrione

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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 0.39 -8.81 0 7 0 86 500.277 2 ↓

Parameters Provided:

ring.id = 222018
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 = 222018 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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