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Analogs

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Popular Name: (3S)-3-[(5-bromo-2-thienyl)methyl]piperidine-2,6-dione (3S)-3-[(5-bromo-2-thienyl)methy…

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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) 2.15 4.33 -12.46 1 3 0 46 288.166 2 ↓

Analogs

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Popular Name: (3R)-3-[(5-bromo-2-thienyl)methyl]piperidine-2,6-dione (3R)-3-[(5-bromo-2-thienyl)methy…

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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) 2.15 4.3 -10.57 1 3 0 46 288.166 2 ↓

Analogs

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Popular Name: (3S)-3-[(5-chloro-2-thienyl)methyl]piperidine-2,6-dione (3S)-3-[(5-chloro-2-thienyl)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) 2.02 4.23 -12.43 1 3 0 46 243.715 2 ↓

Analogs

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Popular Name: (3R)-3-[(5-chloro-2-thienyl)methyl]piperidine-2,6-dione (3R)-3-[(5-chloro-2-thienyl)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) 2.02 4.2 -10.57 1 3 0 46 243.715 2 ↓

Analogs

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Popular Name: (3S)-3-[(4-bromo-2-thienyl)methyl]piperidine-2,6-dione (3S)-3-[(4-bromo-2-thienyl)methy…

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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) 1.95 4.21 -10.92 1 3 0 46 288.166 2 ↓

Analogs

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Popular Name: (3R)-3-[(4-bromo-2-thienyl)methyl]piperidine-2,6-dione (3R)-3-[(4-bromo-2-thienyl)methy…

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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) 1.95 4.18 -11.59 1 3 0 46 288.166 2 ↓

Analogs

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Popular Name: (3S)-3-[(3-bromo-2-thienyl)methyl]piperidine-2,6-dione (3S)-3-[(3-bromo-2-thienyl)methy…

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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) 1.95 4.15 -9.22 1 3 0 46 288.166 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3-bromo-2-thienyl)methyl]piperidine-2,6-dione (3R)-3-[(3-bromo-2-thienyl)methy…

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Activity (Go SEA)

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) 1.95 4.17 -9.38 1 3 0 46 288.166 2 ↓

Analogs

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Popular Name: (3S)-3-(2-thienylmethyl)piperidine-2,6-dione (3S)-3-(2-thienylmethyl)piperidi…

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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) 1.22 3.6 -11.49 1 3 0 46 209.27 2 ↓

Analogs

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Popular Name: (3R)-3-(2-thienylmethyl)piperidine-2,6-dione (3R)-3-(2-thienylmethyl)piperidi…

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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) 1.22 3.57 -10.48 1 3 0 46 209.27 2 ↓

Analogs

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Popular Name: (3S)-3-[(5-ethyl-2-thienyl)methyl]piperidine-2,6-dione (3S)-3-[(5-ethyl-2-thienyl)methy…

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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) 2.01 5.23 -11.54 1 3 0 46 237.324 3 ↓

Analogs

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Popular Name: (3R)-3-[(5-ethyl-2-thienyl)methyl]piperidine-2,6-dione (3R)-3-[(5-ethyl-2-thienyl)methy…

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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) 2.01 5.19 -10.58 1 3 0 46 237.324 3 ↓

Parameters Provided:

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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 = 508949 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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