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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-hydroxy-6,8,8-trimethyl-2-(o-tolyl)chromene-4,7-dione 5-hydroxy-6,8,8-trimethyl-2-(o-t…

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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) 3.45 10.47 -16.45 0 4 0 64 310.349 1 ↓

Analogs

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Popular Name: 5-hydroxy-2-phenyl-6,8,8-tripropyl-chromene-4,7-dione 5-hydroxy-2-phenyl-6,8,8-triprop…

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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) 5.87 13.76 -16.5 0 4 0 64 380.484 7 ↓

Analogs

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Popular Name: 6-ethyl-5-hydroxy-8,8-dimethyl-2-phenyl-chromene-4,7-dione 6-ethyl-5-hydroxy-8,8-dimethyl-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) 3.55 10.42 -17.37 0 4 0 64 310.349 2 ↓

Analogs

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Popular Name: 5-hydroxy-6,8,8-trimethyl-2-(p-tolyl)chromene-4,7-dione 5-hydroxy-6,8,8-trimethyl-2-(p-t…

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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 10.41 -17.08 0 4 0 64 310.349 1 ↓

Analogs

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Popular Name: 2-(3,5-dimethylphenyl)-5-hydroxy-6,8,8-trimethyl-chromene-4,7-dione 2-(3,5-dimethylphenyl)-5-hydroxy…

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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) 3.87 11.07 -16.73 0 4 0 64 324.376 1 ↓

Analogs

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Popular Name: 2-(4-ethylphenyl)-5-hydroxy-6,8,8-trimethyl-chromene-4,7-dione 2-(4-ethylphenyl)-5-hydroxy-6,8,…

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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 11.18 -16.87 0 4 0 64 324.376 2 ↓

Analogs

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Popular Name: 6,8,8-triethyl-5-hydroxy-2-(p-tolyl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(p-to…

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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) 4.64 12.13 -16.78 0 4 0 64 352.43 4 ↓

Analogs

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Popular Name: 6,8,8-triethyl-5-hydroxy-2-(o-tolyl)chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-(o-to…

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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) 4.60 12.19 -16.68 0 4 0 64 352.43 4 ↓

Analogs

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Popular Name: 6,8,8-triethyl-5-hydroxy-2-phenyl-chromene-4,7-dione 6,8,8-triethyl-5-hydroxy-2-pheny…

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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) 4.20 11.45 -16.97 0 4 0 64 338.403 4 ↓

Analogs

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Popular Name: 5-hydroxy-6,8,8-trimethyl-2-(2,4,6-trimethylphenyl)chromene-4,7-dione 5-hydroxy-6,8,8-trimethyl-2-(2,4…

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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) 4.25 11.6 -15.87 0 4 0 64 338.403 1 ↓

Analogs

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Popular Name: 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxy-chromene-4,7-dione 6,8,8-triethyl-2-(4-ethylphenyl)…

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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) 5.11 12.86 -16.63 0 4 0 64 366.457 5 ↓

Parameters Provided:

ring.id = 8803
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 = 8803 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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