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Analogs

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Popular Name: 2-chloro-2-(2,3,4,5-tetramethylphenyl)indane-1,3-dione 2-chloro-2-(2,3,4,5-tetramethylp…

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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) 4.63 10.29 -10.87 0 2 0 34 312.796 1 ↓

Analogs

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Popular Name: 2-[bis(4-butylphenyl)methyl]-2-nitro-indane-1,3-dione 2-[bis(4-butylphenyl)methyl]-2-n…

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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) 7.56 17.91 -11.57 0 5 0 80 469.581 10 ↓

Analogs

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Popular Name: 2-bromo-2-[(1S)-3-oxo-1-phenyl-heptyl]indane-1,3-dione 2-bromo-2-[(1S)-3-oxo-1-phenyl-h…

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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) 5.04 12.49 -9.6 0 3 0 51 413.311 7 ↓

Analogs

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Popular Name: 2-bromo-2-[(1R)-3-oxo-1-phenyl-heptyl]indane-1,3-dione 2-bromo-2-[(1R)-3-oxo-1-phenyl-h…

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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) 5.04 12.49 -9.57 0 3 0 51 413.311 7 ↓

Analogs

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Popular Name: 2-bromo-2-[(1S)-3-oxo-1-phenyl-butyl]indane-1,3-dione 2-bromo-2-[(1S)-3-oxo-1-phenyl-b…

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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 10.13 -9.78 0 3 0 51 371.23 4 ↓

Analogs

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Popular Name: 2-bromo-2-[(1R)-3-oxo-1-phenyl-butyl]indane-1,3-dione 2-bromo-2-[(1R)-3-oxo-1-phenyl-b…

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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 10.2 -10.52 0 3 0 51 371.23 4 ↓

Analogs

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Popular Name: 2-methyl-3-(2-methyl-1,3-dioxo-indan-2-yl)oxy-naphthalene-1,4-dione 2-methyl-3-(2-methyl-1,3-dioxo-i…

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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) 2.95 9.51 -12.36 0 5 0 78 346.338 2 ↓

Analogs

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Popular Name: 5-(2-hydroxy-1,3-dioxo-indan-2-yl)hexahydropyrimidine-2,4,6-trione 5-(2-hydroxy-1,3-dioxo-indan-2-y…

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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) -0.97 -2.38 -43.73 3 8 -1 143 287.207 1 ↓

Parameters Provided:

ring.id = 127173
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 = 127173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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