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Analogs

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Popular Name: (3S)-3-methyl-1-[(2S)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(2S)-tetrahydro…

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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) 0.03 5.14 -56.15 0 5 -1 70 226.252 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(2S)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(2S)-tetrahydro…

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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) 0.03 5.17 -58.59 0 5 -1 70 226.252 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(2R)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(2R)-tetrahydro…

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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) 0.03 5.07 -55.27 0 5 -1 70 226.252 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(2R)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(2R)-tetrahydro…

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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) 0.03 5.15 -59.71 0 5 -1 70 226.252 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[(2S)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2S)-tetrahydrof…

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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) 0.36 5.76 -50.23 0 5 -1 70 240.279 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(2S)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2S)-tetrahydrof…

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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) 0.36 5.67 -57.87 0 5 -1 70 240.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-[(2R)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(2R)-tetrahydrof…

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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) 0.36 5.73 -49.34 0 5 -1 70 240.279 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[(2R)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[(2R)-tetrahydrof…

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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) 0.36 5.64 -59.02 0 5 -1 70 240.279 3 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-[(2S)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-propyl-1-[(2S)-tetrahydro…

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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) 0.92 6.53 -50.55 0 5 -1 70 254.306 4 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-[(2S)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-propyl-1-[(2S)-tetrahydro…

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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) 0.92 6.42 -58.25 0 5 -1 70 254.306 4 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-[(2R)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3S)-3-propyl-1-[(2R)-tetrahydro…

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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) 0.92 6.5 -49.64 0 5 -1 70 254.306 4 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-[(2R)-tetrahydrofuran-2-carbonyl]pyrrolidine-3-carboxylic (3R)-3-propyl-1-[(2R)-tetrahydro…

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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) 0.92 6.4 -59.4 0 5 -1 70 254.306 4 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-N-isopropyl-1-[(2R)-tetrahydrofuran-2-carbonyl]pyrrolidine-2-carboxamide (2S,4S)-4-amino-N-isopropyl-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) -1.20 1.35 -73.67 4 6 1 86 270.353 3 ↓
Hi High (pH 8-9.5) -1.20 1.72 -20.45 3 6 0 85 269.345 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(2S)-tetrahydrofuran-2-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(2S)-tetrahydrofuran-…

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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) -0.06 5.37 -59.02 0 5 -1 70 226.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(2S)-tetrahydrofuran-2-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(2S)-tetrahydrofuran-…

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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) -0.06 5.4 -58.89 0 5 -1 70 226.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(2R)-tetrahydrofuran-2-carbonyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(2R)-tetrahydrofuran-…

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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) -0.06 5.37 -58.91 0 5 -1 70 226.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(2R)-tetrahydrofuran-2-carbonyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(2R)-tetrahydrofuran-…

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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) -0.06 5.38 -58.91 0 5 -1 70 226.252 3 ↓

Parameters Provided:

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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 = 307009 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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