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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: 3-isoindolin-2-yl-1-phenyl-propan-1-one 3-isoindolin-2-yl-1-phenyl-propa…

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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) 2.75 10.32 -44.44 1 2 1 22 252.337 4 ↓
Mid Mid (pH 6-8) 2.75 7.74 -7.44 0 2 0 20 251.329 4 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-3-isoindolin-2-yl-propan-1-one 1-(4-bromophenyl)-3-isoindolin-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) 3.56 10.93 -47.03 1 2 1 22 331.233 4 ↓
Mid Mid (pH 6-8) 3.56 8.37 -6.84 0 2 0 20 330.225 4 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-3-isoindolin-2-yl-propan-1-one 1-(3-bromophenyl)-3-isoindolin-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) 3.53 10.92 -48.45 1 2 1 22 331.233 4 ↓
Mid Mid (pH 6-8) 3.53 8.36 -8.48 0 2 0 20 330.225 4 ↓

Analogs

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Popular Name: 3-isoindolin-2-yl-1-(p-tolyl)propan-1-one 3-isoindolin-2-yl-1-(p-tolyl)pro…

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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) 3.19 11 -44.43 1 2 1 22 266.364 4 ↓
Mid Mid (pH 6-8) 3.19 8.42 -7.4 0 2 0 20 265.356 4 ↓

Analogs

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Popular Name: (2S)-3-isoindolin-2-yl-2-methyl-1-phenyl-propan-1-one (2S)-3-isoindolin-2-yl-2-methyl-…

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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) 3.22 10.91 -42.28 1 2 1 22 266.364 4 ↓
Mid Mid (pH 6-8) 3.22 8.62 -7.09 0 2 0 20 265.356 4 ↓

Analogs

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Popular Name: (2R)-3-isoindolin-2-yl-2-methyl-1-phenyl-propan-1-one (2R)-3-isoindolin-2-yl-2-methyl-…

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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) 3.22 10.93 -38 1 2 1 22 266.364 4 ↓
Mid Mid (pH 6-8) 3.22 8.54 -8.76 0 2 0 20 265.356 4 ↓

Analogs

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Popular Name: 3-isoindolin-2-yl-2,2-dimethyl-1-phenyl-propan-1-one 3-isoindolin-2-yl-2,2-dimethyl-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) 3.63 10.79 -39.51 1 2 1 22 280.391 4 ↓
Hi High (pH 8-9.5) 3.63 8.79 -9.13 0 2 0 20 279.383 4 ↓

Parameters Provided:

ring.id = 117417
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 = 117417 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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