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ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 2-[10-(2,4-dichlorophenoxy)decyl]isoindoline-1,3-dione 2-[10-(2,4-dichlorophenoxy)decyl…

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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) 8.06 14.67 -10.79 0 4 0 48 448.39 12 ↓

Analogs

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Popular Name: 2-[10-(4-chloro-2,6-dimethyl-phenoxy)decyl]isoindoline-1,3-dione 2-[10-(4-chloro-2,6-dimethyl-phe…

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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) 8.19 15.53 -9.85 0 4 0 48 441.999 12 ↓

Analogs

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Popular Name: 2-[10-(4-methylphenoxy)decyl]isoindoline-1,3-dione 2-[10-(4-methylphenoxy)decyl]iso…

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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) 7.23 14.27 -10.75 0 4 0 48 393.527 12 ↓

Analogs

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Popular Name: 2-[10-[4-nitro-3-(trifluoromethyl)phenoxy]decyl]isoindoline-1,3-dione 2-[10-[4-nitro-3-(trifluoromethy…

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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 15.06 -16.08 0 7 0 94 492.494 14 ↓

Analogs

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Popular Name: 2-[10-(3,4-dichlorophenoxy)decyl]isoindoline-1,3-dione 2-[10-(3,4-dichlorophenoxy)decyl…

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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) 8.06 14.57 -10.71 0 4 0 48 448.39 12 ↓

Analogs

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Popular Name: 2-[10-(5-chloro-2-methyl-phenoxy)decyl]isoindoline-1,3-dione 2-[10-(5-chloro-2-methyl-phenoxy…

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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) 7.83 14.87 -10.35 0 4 0 48 427.972 12 ↓

Analogs

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Popular Name: 2-[10-[4-(trifluoromethyl)phenoxy]decyl]isoindoline-1,3-dione 2-[10-[4-(trifluoromethyl)phenox…

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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) 7.67 14.6 -10.55 0 4 0 48 447.497 13 ↓

Analogs

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Popular Name: 2-[10-(4-chlorophenoxy)decyl]isoindoline-1,3-dione 2-[10-(4-chlorophenoxy)decyl]iso…

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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) 7.46 14.12 -10.27 0 4 0 48 413.945 12 ↓

Analogs

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Popular Name: 2-[10-(4-nitrophenoxy)decyl]isoindoline-1,3-dione 2-[10-(4-nitrophenoxy)decyl]isoi…

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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) 6.74 14.31 -13.55 0 7 0 94 424.497 13 ↓

Analogs

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Popular Name: 2-[10-(3-nitrophenoxy)decyl]isoindoline-1,3-dione 2-[10-(3-nitrophenoxy)decyl]isoi…

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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) 6.71 14.3 -15.07 0 7 0 94 424.497 13 ↓

Analogs

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Popular Name: 2-(10-phenoxydecyl)isoindoline-1,3-dione 2-(10-phenoxydecyl)isoindoline-1…

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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) 6.78 13.59 -10.79 0 4 0 48 379.5 12 ↓

Analogs

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Popular Name: 2-[10-(3-chlorophenoxy)decyl]isoindoline-1,3-dione 2-[10-(3-chlorophenoxy)decyl]iso…

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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) 7.43 14.11 -10.86 0 4 0 48 413.945 12 ↓

Analogs

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Popular Name: 2-[10-(2,6-dimethylphenoxy)decyl]isoindoline-1,3-dione 2-[10-(2,6-dimethylphenoxy)decyl…

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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) 7.58 15.03 -10.7 0 4 0 48 407.554 12 ↓

Parameters Provided:

ring.id = 189013
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 = 189013 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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