UCSF
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Popular Name: (2R)-2-amino-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-2-phenyl-propanamide (2R)-2-amino-N-[[(3R)-1-ethylpyr…

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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) 1.77 5.12 -39.46 4 4 1 60 276.404 5 ↓
Mid Mid (pH 6-8) 1.77 5.43 -106.12 5 4 2 61 277.412 5 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-phenyl-propanamide (2R)-2-amino-N-[[(3S)-1-ethylpyr…

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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) 1.77 5.07 -39.49 4 4 1 60 276.404 5 ↓
Mid Mid (pH 6-8) 1.77 5.37 -105.52 5 4 2 61 277.412 5 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-phenyl-propanamide (2R)-2-amino-N-[[(3S)-1-methylpy…

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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) 1.39 4.38 -39.79 4 4 1 60 262.377 4 ↓
Mid Mid (pH 6-8) 1.39 4.68 -104.78 5 4 2 61 263.385 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-phenyl-propanamide (2S)-2-amino-N-[[(3S)-1-methylpy…

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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) 1.39 4.44 -42.3 4 4 1 60 262.377 4 ↓
Mid Mid (pH 6-8) 1.39 4.68 -105.79 5 4 2 61 263.385 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-2-phenyl-propanamide (2R)-2-amino-N-[[(3R)-1-methylpy…

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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) 1.39 4.36 -40.38 4 4 1 60 262.377 4 ↓
Mid Mid (pH 6-8) 1.39 4.66 -106.17 5 4 2 61 263.385 4 ↓

Analogs

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Popular Name: (2S)-2-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-2-phenyl-propanamide (2S)-2-amino-N-[[(3R)-1-methylpy…

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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) 1.39 4.43 -42.82 4 4 1 60 262.377 4 ↓
Mid Mid (pH 6-8) 1.39 4.66 -105.45 5 4 2 61 263.385 4 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-2-phenyl-propanamide (2R)-2-amino-N-[[(3R)-1-isopropy…

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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) 2.06 5.64 -38.33 4 4 1 60 290.431 5 ↓
Mid Mid (pH 6-8) 2.06 5.95 -105.73 5 4 2 61 291.439 5 ↓

Analogs

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Popular Name: (2R)-2-amino-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-2-phenyl-propanamide (2R)-2-amino-N-[[(3S)-1-isopropy…

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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) 2.06 5.56 -38.32 4 4 1 60 290.431 5 ↓
Mid Mid (pH 6-8) 2.06 5.87 -105.12 5 4 2 61 291.439 5 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-[[(3R)-1-eth…

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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) 1.18 5.27 -42.05 4 4 1 60 262.377 5 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-[[(3S)-1-eth…

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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) 1.18 5.22 -42.35 4 4 1 60 262.377 5 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-[[(3R)-1-met…

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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) 0.81 4.55 -42.74 4 4 1 60 248.35 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-[[(3S)-1-met…

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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) 0.81 4.57 -43.61 4 4 1 60 248.35 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-[[(3R)-1-iso…

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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) 1.48 5.76 -41.06 4 4 1 60 276.404 5 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]acetamide 2-(3-aminophenyl)-N-[[(3S)-1-iso…

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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) 1.48 5.72 -41.3 4 4 1 60 276.404 5 ↓

Analogs

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Popular Name: 2-methyl-2-phenyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide 2-methyl-2-phenyl-N-[[(3S)-1-(2,…

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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) 3.65 8.61 -48.21 2 3 1 34 329.386 6 ↓
Mid Mid (pH 6-8) 3.65 6.18 -11.23 1 3 0 32 328.378 6 ↓

Analogs

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Popular Name: 2-methyl-2-phenyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide 2-methyl-2-phenyl-N-[[(3R)-1-(2,…

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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) 3.65 8.56 -48.45 2 3 1 34 329.386 6 ↓
Mid Mid (pH 6-8) 3.65 6.22 -10.96 1 3 0 32 328.378 6 ↓

Analogs

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Popular Name: 2-(3-fluoro-4-methoxy-phenyl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide 2-(3-fluoro-4-methoxy-phenyl)-N-…

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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) 2.83 7.07 -52.93 2 4 1 43 349.348 7 ↓
Mid Mid (pH 6-8) 2.83 4.63 -15.84 1 4 0 42 348.34 7 ↓

Analogs

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Popular Name: 2-(3-fluoro-4-methoxy-phenyl)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide 2-(3-fluoro-4-methoxy-phenyl)-N-…

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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) 2.83 7.01 -53.17 2 4 1 43 349.348 7 ↓
Mid Mid (pH 6-8) 2.83 4.68 -15.23 1 4 0 42 348.34 7 ↓

Analogs

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Popular Name: N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(o-tolyl)propanamide N-[[(3S)-1-(2-methoxyethyl)pyrro…

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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) 3.11 7.69 -41.92 2 4 1 43 319.469 7 ↓

Analogs

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Popular Name: 2-(2-methoxyphenyl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide 2-(2-methoxyphenyl)-N-[[(3R)-1-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) 1.76 6.06 -42.9 2 4 1 43 263.361 5 ↓

Analogs

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Popular Name: 2-(2-methoxyphenyl)-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]acetamide 2-(2-methoxyphenyl)-N-[[(3S)-1-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) 1.76 6.04 -43.1 2 4 1 43 263.361 5 ↓

Analogs

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Popular Name: (2R)-N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-2-methoxy-2-phenyl-acetamide (2R)-N-[[(3S)-1-isopropylpyrroli…

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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) 2.19 8.08 -43.15 2 4 1 43 291.415 6 ↓

Analogs

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Popular Name: N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide N-[[(3S)-1-isopropylpyrrolidin-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) 2.06 6.97 -48.51 2 6 1 61 351.467 8 ↓

Analogs

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Popular Name: N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide N-[[(3R)-1-methylpyrrolidin-3-yl…

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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) 2.19 7.71 -43.88 2 3 1 34 279.429 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(4-methylsulfanylphenyl)acetamide N-[[(3S)-1-methylpyrrolidin-3-yl…

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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) 2.19 7.73 -44.65 2 3 1 34 279.429 5 ↓

Parameters Provided:

ring.id = 30496
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 30496 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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