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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: (3R)-3-[methyl-[(1S)-1-phenylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (3R)-3-[methyl-[(1S)-1-phenyleth…

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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) 2.70 8.71 -44.11 1 3 1 25 301.332 5 ↓
Hi High (pH 8-9.5) 2.70 6.92 -8.93 0 3 0 24 300.324 5 ↓

Analogs

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Popular Name: (3R)-3-[methyl-[(1R)-1-phenylethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (3R)-3-[methyl-[(1R)-1-phenyleth…

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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) 2.70 8.72 -42.48 1 3 1 25 301.332 5 ↓
Hi High (pH 8-9.5) 2.70 6.87 -9.92 0 3 0 24 300.324 5 ↓

Analogs

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Popular Name: (3R)-3-[(5-fluoro-2-methoxy-phenyl)methyl-methyl-amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (3R)-3-[(5-fluoro-2-methoxy-phen…

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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) 2.29 7.75 -42.78 1 4 1 34 335.321 6 ↓
Mid Mid (pH 6-8) 2.29 5.43 -10.69 0 4 0 33 334.313 6 ↓

Analogs

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Popular Name: (3S)-3-[(5-fluoro-2-methoxy-phenyl)methyl-methyl-amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (3S)-3-[(5-fluoro-2-methoxy-phen…

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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) 2.29 7.86 -41.36 1 4 1 34 335.321 6 ↓
Mid Mid (pH 6-8) 2.29 5.47 -11.3 0 4 0 33 334.313 6 ↓

Analogs

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Popular Name: (3R)-3-[methyl-[(1S)-1-(3-nitrophenyl)ethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (3R)-3-[methyl-[(1S)-1-(3-nitrop…

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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) 2.63 7.63 -11.86 0 6 0 69 345.321 6 ↓
Mid Mid (pH 6-8) 2.63 9.42 -55.57 1 6 1 71 346.329 6 ↓

Analogs

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Popular Name: (3R)-3-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (3R)-3-[methyl-[(1R)-1-(3-nitrop…

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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) 2.63 7.57 -12.73 0 6 0 69 345.321 6 ↓
Mid Mid (pH 6-8) 2.63 9.43 -54.96 1 6 1 71 346.329 6 ↓

Analogs

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Popular Name: (3R)-3-[(4-fluorophenyl)methyl-methyl-amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (3R)-3-[(4-fluorophenyl)methyl-m…

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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) 2.30 8.36 -50.83 1 3 1 25 305.295 5 ↓
Mid Mid (pH 6-8) 2.30 6.14 -10.83 0 3 0 24 304.287 5 ↓

Analogs

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Popular Name: (3S)-3-[(4-fluorophenyl)methyl-methyl-amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (3S)-3-[(4-fluorophenyl)methyl-m…

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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) 2.30 8.47 -45.03 1 3 1 25 305.295 5 ↓
Mid Mid (pH 6-8) 2.30 6.2 -10.48 0 3 0 24 304.287 5 ↓

Analogs

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Popular Name: (3R)-3-[(4-methoxy-3,5-dimethyl-phenyl)methyl-methyl-amino]-1-methyl-pyrrolidin-2-one (3R)-3-[(4-methoxy-3,5-dimethyl-…

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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) 2.02 7.61 -44.02 1 4 1 34 277.388 4 ↓
Hi High (pH 8-9.5) 2.02 5.3 -10.43 0 4 0 33 276.38 4 ↓

Analogs

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Popular Name: (3S)-3-[(4-methoxy-3,5-dimethyl-phenyl)methyl-methyl-amino]-1-methyl-pyrrolidin-2-one (3S)-3-[(4-methoxy-3,5-dimethyl-…

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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) 2.02 7.72 -39.69 1 4 1 34 277.388 4 ↓
Hi High (pH 8-9.5) 2.02 5.44 -9.73 0 4 0 33 276.38 4 ↓

Parameters Provided:

ring.id = 476950
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 = 476950 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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