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Popular Name: (3R)-3-(ethylamino)-1-[(3-methylisoxazol-5-yl)methyl]pyrrolidin-2-one (3R)-3-(ethylamino)-1-[(3-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) 0.29 3.86 -46.22 2 5 1 63 224.284 4 ↓
Hi High (pH 8-9.5) 0.29 2.67 -8.88 1 5 0 58 223.276 4 ↓

Analogs

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Popular Name: (3S)-3-(ethylamino)-1-[(3-methylisoxazol-5-yl)methyl]pyrrolidin-2-one (3S)-3-(ethylamino)-1-[(3-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) 0.29 3.92 -42.95 2 5 1 63 224.284 4 ↓
Hi High (pH 8-9.5) 0.29 2.66 -11 1 5 0 58 223.276 4 ↓

Analogs

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Popular Name: (3R)-1-[(3-methylisoxazol-5-yl)methyl]-3-(propylamino)pyrrolidin-2-one (3R)-1-[(3-methylisoxazol-5-yl)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) 0.79 4.63 -47.23 2 5 1 63 238.311 5 ↓
Hi High (pH 8-9.5) 0.79 3.43 -8.83 1 5 0 58 237.303 5 ↓

Analogs

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Popular Name: (3S)-1-[(3-methylisoxazol-5-yl)methyl]-3-(propylamino)pyrrolidin-2-one (3S)-1-[(3-methylisoxazol-5-yl)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) 0.79 4.68 -43.85 2 5 1 63 238.311 5 ↓
Hi High (pH 8-9.5) 0.79 3.42 -10.97 1 5 0 58 237.303 5 ↓

Analogs

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Popular Name: (3S)-3-(methylamino)-1-[(3-methylisoxazol-5-yl)methyl]pyrrolidin-2-one (3S)-3-(methylamino)-1-[(3-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) -0.09 3.03 -52.52 2 5 1 63 210.257 3 ↓
Hi High (pH 8-9.5) -0.09 1.74 -15.77 1 5 0 58 209.249 3 ↓

Analogs

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Popular Name: (3R)-3-(methylamino)-1-[(3-methylisoxazol-5-yl)methyl]pyrrolidin-2-one (3R)-3-(methylamino)-1-[(3-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) -0.09 3.09 -47.47 2 5 1 63 210.257 3 ↓
Hi High (pH 8-9.5) -0.09 1.74 -18.61 1 5 0 58 209.249 3 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(3-methylisoxazol-5-yl)methyl]pyrrolidin-2-one (3S)-3-amino-1-[(3-methylisoxazo…

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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) -1.00 1.25 -57.33 3 5 1 74 196.23 2 ↓
Hi High (pH 8-9.5) -1.00 0.93 -15.85 2 5 0 72 195.222 2 ↓

Analogs

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Popular Name: (3R)-3-amino-1-[(3-methylisoxazol-5-yl)methyl]pyrrolidin-2-one (3R)-3-amino-1-[(3-methylisoxazo…

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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) -1.00 1.24 -51.97 3 5 1 74 196.23 2 ↓
Hi High (pH 8-9.5) -1.00 0.95 -17.58 2 5 0 72 195.222 2 ↓

Analogs

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Popular Name: (2S)-1-(isoxazol-5-ylmethyl)-5-oxo-pyrrolidine-2-carboxylic (2S)-1-(isoxazol-5-ylmethyl)-5-o…

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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) -2.04 4.48 -45.55 0 6 -1 86 209.181 3 ↓

Analogs

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Popular Name: (2R)-1-(isoxazol-5-ylmethyl)-5-oxo-pyrrolidine-2-carboxylic (2R)-1-(isoxazol-5-ylmethyl)-5-o…

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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) -2.04 4.02 -45.69 0 6 -1 86 209.181 3 ↓

Analogs

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Popular Name: (2S)-1-[(3-methylisoxazol-5-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2S)-1-[(3-methylisoxazol-5-yl)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) -1.81 5.06 -45.71 0 6 -1 86 223.208 3 ↓

Analogs

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Popular Name: (2R)-1-[(3-methylisoxazol-5-yl)methyl]-5-oxo-pyrrolidine-2-carboxylic (2R)-1-[(3-methylisoxazol-5-yl)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) -1.81 4.61 -46.15 0 6 -1 86 223.208 3 ↓

Analogs

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Popular Name: 5-[[(4R)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]isoxazole-3-carboxylic 5-[[(4R)-4-methyl-2-oxo-pyrrolid…

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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) 0.48 4.57 -52.26 0 6 -1 86 223.208 3 ↓

Analogs

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Popular Name: 5-[[(4S)-4-methyl-2-oxo-pyrrolidin-1-yl]methyl]isoxazole-3-carboxylic 5-[[(4S)-4-methyl-2-oxo-pyrrolid…

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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) 0.48 4.56 -52.46 0 6 -1 86 223.208 3 ↓

Analogs

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Popular Name: (4R)-4-hydroxy-1-[(3-methylisoxazol-5-yl)methyl]pyrrolidin-2-one (4R)-4-hydroxy-1-[(3-methylisoxa…

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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) -0.51 0.61 -16.12 1 5 0 67 196.206 2 ↓

Analogs

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Popular Name: (4S)-4-hydroxy-1-[(3-methylisoxazol-5-yl)methyl]pyrrolidin-2-one (4S)-4-hydroxy-1-[(3-methylisoxa…

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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) -0.51 0.62 -17.06 1 5 0 67 196.206 2 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 14187 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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