UCSF
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Analogs

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Popular Name: (3S)-3-isopropyl-3-methyl-1-[[(3S,6R)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione (3S)-3-isopropyl-3-methyl-1-[[(3…

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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) 1.74 5.81 -36.16 2 4 1 54 267.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-isopropyl-3-methyl-1-[[(3S,6S)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione (3S)-3-isopropyl-3-methyl-1-[[(3…

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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) 1.74 6.1 -35.29 2 4 1 54 267.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-isopropyl-3-methyl-1-[[(3R,6R)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione (3S)-3-isopropyl-3-methyl-1-[[(3…

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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) 1.74 6.1 -35.78 2 4 1 54 267.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-isopropyl-3-methyl-1-[[(3R,6S)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione (3S)-3-isopropyl-3-methyl-1-[[(3…

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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) 1.74 5.8 -36.51 2 4 1 54 267.393 3 ↓

Analogs

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Popular Name: 3,3-diethyl-1-[[(3R,6S)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione 3,3-diethyl-1-[[(3R,6S)-6-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) 1.83 5.9 -39.68 2 4 1 54 267.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-diethyl-1-[[(3S,6S)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione 3,3-diethyl-1-[[(3S,6S)-6-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) 1.83 6.15 -39.01 2 4 1 54 267.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-diethyl-1-[[(3R,6R)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione 3,3-diethyl-1-[[(3R,6R)-6-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) 1.83 6.18 -38.8 2 4 1 54 267.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-diethyl-1-[[(3S,6R)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione 3,3-diethyl-1-[[(3S,6R)-6-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) 1.83 5.86 -39.82 2 4 1 54 267.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[[(3S,6R)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione (3S)-3-methyl-1-[[(3S,6R)-6-meth…

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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) 0.75 4.35 -37.26 2 4 1 54 225.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[[(3S,6S)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione (3S)-3-methyl-1-[[(3S,6S)-6-meth…

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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) 0.75 4.64 -36.35 2 4 1 54 225.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[[(3R,6R)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione (3S)-3-methyl-1-[[(3R,6R)-6-meth…

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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) 0.75 4.63 -36.53 2 4 1 54 225.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-[[(3R,6S)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione (3S)-3-methyl-1-[[(3R,6S)-6-meth…

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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) 0.75 4.33 -37.42 2 4 1 54 225.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S,6R)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione 1-[[(3S,6R)-6-methyl-3-piperidyl…

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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) 0.28 3.74 -37.72 2 4 1 54 211.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S,6S)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione 1-[[(3S,6S)-6-methyl-3-piperidyl…

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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) 0.28 4.03 -36.89 2 4 1 54 211.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R,6R)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione 1-[[(3R,6R)-6-methyl-3-piperidyl…

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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) 0.28 4.03 -36.85 2 4 1 54 211.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R,6S)-6-methyl-3-piperidyl]methyl]pyrrolidine-2,5-dione 1-[[(3R,6S)-6-methyl-3-piperidyl…

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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) 0.28 3.73 -37.73 2 4 1 54 211.285 2 ↓

Parameters Provided:

ring.id = 17804
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 = 17804 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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