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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[2-[methyl-[(1S)-1-phenylethyl]amino]ethyl]isoindoline-1,3-dione 2-[2-[methyl-[(1S)-1-phenylethyl…

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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) 3.51 10.3 -37.38 1 4 1 44 309.389 5 ↓
Mid Mid (pH 6-8) 3.51 8.22 -9.22 0 4 0 42 308.381 5 ↓

Analogs

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Popular Name: 2-[2-[methyl-[(1R)-1-phenylethyl]amino]ethyl]isoindoline-1,3-dione 2-[2-[methyl-[(1R)-1-phenylethyl…

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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) 3.51 10.31 -37.4 1 4 1 44 309.389 5 ↓
Mid Mid (pH 6-8) 3.51 8.2 -9.27 0 4 0 42 308.381 5 ↓

Analogs

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Popular Name: 2-[2-[(4-ethoxyphenyl)methyl-methyl-amino]ethyl]isoindoline-1,3-dione 2-[2-[(4-ethoxyphenyl)methyl-met…

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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) 3.39 9.87 -41.03 1 5 1 53 339.415 7 ↓
Hi High (pH 8-9.5) 3.39 7.54 -9.92 0 5 0 52 338.407 7 ↓

Analogs

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Popular Name: 2-[2-[[4-(difluoromethoxy)phenyl]methyl-methyl-amino]ethyl]isoindoline-1,3-dione 2-[2-[[4-(difluoromethoxy)phenyl…

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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) 3.57 9.23 -43.07 1 5 1 53 361.368 7 ↓
Mid Mid (pH 6-8) 3.57 6.89 -11.9 0 5 0 52 360.36 7 ↓

Analogs

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Popular Name: 2-[2-[(2-fluorophenyl)methyl-methyl-amino]ethyl]isoindoline-1,3-dione 2-[2-[(2-fluorophenyl)methyl-met…

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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) 3.07 9.55 -36.49 1 4 1 44 313.352 5 ↓
Mid Mid (pH 6-8) 3.07 7.21 -10.1 0 4 0 42 312.344 5 ↓

Parameters Provided:

ring.id = 268729
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 = 268729 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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