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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-[(2-bromophenyl)methyl]pyrrolidine (3R)-3-[(2-bromophenyl)methyl]py…

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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) 3.17 6.51 -39.03 2 1 1 17 241.152 2 ↓

Analogs

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Popular Name: (3S)-3-[(2-bromophenyl)methyl]pyrrolidine (3S)-3-[(2-bromophenyl)methyl]py…

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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) 3.17 6.57 -38.67 2 1 1 17 241.152 2 ↓

Analogs

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Popular Name: (3R)-3-[(4-ethylphenyl)methyl]pyrrolidine (3R)-3-[(4-ethylphenyl)methyl]py…

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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) 3.32 7.38 -39.09 2 1 1 17 190.31 3 ↓

Analogs

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Popular Name: (3S)-3-[(4-ethylphenyl)methyl]pyrrolidine (3S)-3-[(4-ethylphenyl)methyl]py…

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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) 3.32 7.5 -38.78 2 1 1 17 190.31 3 ↓

Analogs

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Popular Name: (3R)-3-[(2,5-dimethylphenyl)methyl]pyrrolidine (3R)-3-[(2,5-dimethylphenyl)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) 3.23 7.16 -40.28 2 1 1 17 190.31 2 ↓

Analogs

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Popular Name: (3S)-3-[(2,5-dimethylphenyl)methyl]pyrrolidine (3S)-3-[(2,5-dimethylphenyl)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) 3.23 7.28 -39.88 2 1 1 17 190.31 2 ↓

Analogs

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Popular Name: (3R)-3-[(2,4-dimethylphenyl)methyl]pyrrolidine (3R)-3-[(2,4-dimethylphenyl)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) 3.23 7.17 -39.9 2 1 1 17 190.31 2 ↓

Analogs

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Popular Name: (3S)-3-[(2,4-dimethylphenyl)methyl]pyrrolidine (3S)-3-[(2,4-dimethylphenyl)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) 3.23 7.21 -39.91 2 1 1 17 190.31 2 ↓

Analogs

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Popular Name: 3-[(3-chlorophenyl)methyl]pyrrolidine 3-[(3-chlorophenyl)methyl]pyrrol…

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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) 3.06 6.46 -41.39 2 1 1 17 196.701 2 ↓

Analogs

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Popular Name: 3-[(3-chlorophenyl)methyl]pyrrolidine 3-[(3-chlorophenyl)methyl]pyrrol…

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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) 3.06 6.58 -40.27 2 1 1 17 196.701 2 ↓

Analogs

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Popular Name: 3-{[4-(propan-2-yl)phenyl]methyl}pyrrolidine 3-{[4-(propan-2-yl)phenyl]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) 3.92 7.88 -38.98 2 1 1 17 204.337 3 ↓

Analogs

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Popular Name: 3-{[4-(propan-2-yl)phenyl]methyl}pyrrolidine 3-{[4-(propan-2-yl)phenyl]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) 3.92 7.99 -38.66 2 1 1 17 204.337 3 ↓

Analogs

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Popular Name: (3R)-3-[(2,4,6-trimethylphenyl)methyl]pyrrolidine (3R)-3-[(2,4,6-trimethylphenyl)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) 3.61 7.54 -41.16 2 1 1 17 204.337 2 ↓

Analogs

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Popular Name: (3S)-3-[(2,4,6-trimethylphenyl)methyl]pyrrolidine (3S)-3-[(2,4,6-trimethylphenyl)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) 3.61 7.53 -40.94 2 1 1 17 204.337 2 ↓

Analogs

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Popular Name: (3R)-3-[(4-methoxy-3-methyl-phenyl)methyl]pyrrolidine (3R)-3-[(4-methoxy-3-methyl-phen…

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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) 2.84 5.99 -41.62 2 2 1 26 206.309 3 ↓

Analogs

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Popular Name: (3S)-3-[(4-methoxy-3-methyl-phenyl)methyl]pyrrolidine (3S)-3-[(4-methoxy-3-methyl-phen…

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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) 2.84 6.1 -41.45 2 2 1 26 206.309 3 ↓

Analogs

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Popular Name: (3R)-3-[(3-fluoro-4-methoxy-phenyl)methyl]pyrrolidine (3R)-3-[(3-fluoro-4-methoxy-phen…

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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) 2.55 5.33 -46.12 2 2 1 26 210.272 3 ↓

Analogs

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Popular Name: (3S)-3-[(3-fluoro-4-methoxy-phenyl)methyl]pyrrolidine (3S)-3-[(3-fluoro-4-methoxy-phen…

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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) 2.55 5.43 -44.62 2 2 1 26 210.272 3 ↓

Analogs

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Popular Name: (3R)-3-[(4-tert-butylphenyl)methyl]pyrrolidine (3R)-3-[(4-tert-butylphenyl)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) 4.11 8.27 -38.81 2 1 1 17 218.364 3 ↓

Analogs

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Popular Name: (3S)-3-[(4-tert-butylphenyl)methyl]pyrrolidine (3S)-3-[(4-tert-butylphenyl)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) 4.11 8.38 -38.57 2 1 1 17 218.364 3 ↓

Analogs

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Popular Name: (3R)-3-[(3,4-dimethoxyphenyl)methyl]pyrrolidine (3R)-3-[(3,4-dimethoxyphenyl)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) 2.05 5.15 -45.79 2 3 1 35 222.308 4 ↓

Analogs

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Popular Name: (3S)-3-[(3,4-dimethoxyphenyl)methyl]pyrrolidine (3S)-3-[(3,4-dimethoxyphenyl)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) 2.05 5.26 -45.28 2 3 1 35 222.308 4 ↓

Analogs

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Popular Name: (3R)-3-[(2,5-dimethoxyphenyl)methyl]pyrrolidine (3R)-3-[(2,5-dimethoxyphenyl)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) 2.45 4.85 -39.26 2 3 1 35 222.308 4 ↓

Analogs

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Popular Name: (3S)-3-[(2,5-dimethoxyphenyl)methyl]pyrrolidine (3S)-3-[(2,5-dimethoxyphenyl)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) 2.45 4.72 -39.38 2 3 1 35 222.308 4 ↓

Analogs

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Popular Name: (3R)-3-[(2,4-dimethoxyphenyl)methyl]pyrrolidine (3R)-3-[(2,4-dimethoxyphenyl)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) 2.45 4.87 -39.97 2 3 1 35 222.308 4 ↓

Analogs

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Popular Name: (3S)-3-[(2,4-dimethoxyphenyl)methyl]pyrrolidine (3S)-3-[(2,4-dimethoxyphenyl)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) 2.45 4.73 -41.04 2 3 1 35 222.308 4 ↓

Analogs

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Popular Name: (3R)-3-[(3-bromophenyl)methyl]pyrrolidine (3R)-3-[(3-bromophenyl)methyl]py…

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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) 3.19 6.57 -41.35 2 1 1 17 241.152 2 ↓

Analogs

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Popular Name: (3S)-3-[(3-bromophenyl)methyl]pyrrolidine (3S)-3-[(3-bromophenyl)methyl]py…

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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) 3.19 6.68 -40.24 2 1 1 17 241.152 2 ↓

Analogs

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Popular Name: 3-(4-bromobenzyl)pyrrolidine 3-(4-bromobenzyl)pyrrolidine

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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) 3.21 6.58 -41.8 2 1 1 17 241.152 2 ↓

Analogs

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Popular Name: 3-(4-bromobenzyl)pyrrolidine 3-(4-bromobenzyl)pyrrolidine

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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) 3.21 6.68 -41.41 2 1 1 17 241.152 2 ↓

Analogs

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Popular Name: (3R)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine (3R)-3-[(3,4,5-trimethoxyphenyl)…

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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 5.08 -49.4 2 4 1 44 252.334 5 ↓

Analogs

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Popular Name: (3S)-3-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine (3S)-3-[(3,4,5-trimethoxyphenyl)…

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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 5.18 -48.91 2 4 1 44 252.334 5 ↓

Analogs

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Popular Name: (2S,4R)-1-[(2S)-2-aminobutanoyl]-4-benzyl-N-butyl-pyrrolidine-2-carboxamide (2S,4R)-1-[(2S)-2-aminobutanoyl]…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TPP2-1-E Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPP2_RAT Q64560 Tripeptidyl Aminopeptidase, Rat 140 0.38 Binding ≤ 1μM
TPP2_RAT Q64560 Tripeptidyl Aminopeptidase, Rat 140 0.38 Binding ≤ 10μM

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) 3.14 6.6 -48.55 4 5 1 77 346.495 8 ↓

Analogs

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Popular Name: (2S,4S)-1-[(2S)-2-aminobutanoyl]-4-benzyl-N-butyl-pyrrolidine-2-carboxamide (2S,4S)-1-[(2S)-2-aminobutanoyl]…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TPP2-1-E Tripeptidyl Aminopeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TPP2_RAT Q64560 Tripeptidyl Aminopeptidase, Rat 140 0.38 Binding ≤ 1μM
TPP2_RAT Q64560 Tripeptidyl Aminopeptidase, Rat 140 0.38 Binding ≤ 10μM

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) 3.14 6.66 -45.62 4 5 1 77 346.495 8 ↓

Analogs

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Popular Name: (3R,4S)-4-benzylpyrrolidine-3-carboxylic (3R,4S)-4-benzylpyrrolidine-3-ca…

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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) 1.75 6.3 -52.67 2 3 0 57 205.257 3 ↓
Hi High (pH 8-9.5) 1.75 4.84 -45.82 1 3 -1 52 204.249 3 ↓

Analogs

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Popular Name: (3S,4S)-4-benzylpyrrolidine-3-carboxylic (3S,4S)-4-benzylpyrrolidine-3-ca…

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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) 1.75 6.39 -50.57 2 3 0 57 205.257 3 ↓
Hi High (pH 8-9.5) 1.75 4.95 -50.14 1 3 -1 52 204.249 3 ↓

Analogs

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Popular Name: (3S,4R)-4-benzylpyrrolidine-3-carboxylic (3S,4R)-4-benzylpyrrolidine-3-ca…

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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) 1.75 6.3 -52.65 2 3 0 57 205.257 3 ↓
Hi High (pH 8-9.5) 1.75 4.84 -46.73 1 3 -1 52 204.249 3 ↓

Analogs

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Popular Name: (3S)-3-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxylic (3S)-3-[(3-nitrophenyl)methyl]py…

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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) 1.28 6.73 -53.87 2 6 0 103 250.254 4 ↓
Hi High (pH 8-9.5) 1.28 5.27 -41.46 1 6 -1 98 249.246 4 ↓

Analogs

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Popular Name: (3R)-3-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxylic (3R)-3-[(3-nitrophenyl)methyl]py…

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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) 1.28 6.71 -49.94 2 6 0 103 250.254 4 ↓
Hi High (pH 8-9.5) 1.28 5.06 -46.25 1 6 -1 98 249.246 4 ↓

Analogs

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Popular Name: (3S)-3-[(4-bromo-2-fluoro-phenyl)methyl]pyrrolidine-3-carboxylic (3S)-3-[(4-bromo-2-fluoro-phenyl…

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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) 2.25 6.65 -48.93 2 3 0 57 302.143 3 ↓
Hi High (pH 8-9.5) 2.25 5.17 -48.98 1 3 -1 52 301.135 3 ↓

Analogs

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Popular Name: (3R)-3-[(4-bromo-2-fluoro-phenyl)methyl]pyrrolidine-3-carboxylic (3R)-3-[(4-bromo-2-fluoro-phenyl…

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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) 2.25 6.63 -57.22 2 3 0 57 302.143 3 ↓
Hi High (pH 8-9.5) 2.25 5.33 -41.46 1 3 -1 52 301.135 3 ↓

Analogs

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Popular Name: (3S)-3-[(5-fluoro-2-nitro-phenyl)methyl]pyrrolidine-3-carboxylic (3S)-3-[(5-fluoro-2-nitro-phenyl…

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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) 1.40 6.58 -48.64 2 6 0 103 268.244 4 ↓
Hi High (pH 8-9.5) 1.40 5.51 -51.65 1 6 -1 98 267.236 4 ↓

Analogs

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Popular Name: (3R)-3-[(5-fluoro-2-nitro-phenyl)methyl]pyrrolidine-3-carboxylic (3R)-3-[(5-fluoro-2-nitro-phenyl…

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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) 1.40 6.95 -59.67 2 6 0 103 268.244 4 ↓
Hi High (pH 8-9.5) 1.40 5.03 -43.77 1 6 -1 98 267.236 4 ↓

Analogs

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Popular Name: (3S)-3-[(2-methoxy-5-nitro-phenyl)methyl]pyrrolidine-3-carboxylic (3S)-3-[(2-methoxy-5-nitro-pheny…

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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) 1.29 6.39 -59.15 2 7 0 112 280.28 5 ↓
Hi High (pH 8-9.5) 1.29 5.4 -43 1 7 -1 107 279.272 5 ↓

Analogs

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Popular Name: (3R)-3-[(2-methoxy-5-nitro-phenyl)methyl]pyrrolidine-3-carboxylic (3R)-3-[(2-methoxy-5-nitro-pheny…

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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) 1.29 6.86 -49.47 2 7 0 112 280.28 5 ↓
Hi High (pH 8-9.5) 1.29 4.5 -55.05 1 7 -1 107 279.272 5 ↓

Analogs

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Popular Name: (3S)-3-[(3-fluoro-4-methoxy-phenyl)methyl]pyrrolidine-3-carboxylic (3S)-3-[(3-fluoro-4-methoxy-phen…

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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) 1.50 5.4 -49.88 2 4 0 66 253.273 4 ↓
Hi High (pH 8-9.5) 1.50 3.93 -45.07 1 4 -1 61 252.265 4 ↓

Analogs

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Popular Name: (3R)-3-[(3-fluoro-4-methoxy-phenyl)methyl]pyrrolidine-3-carboxylic (3R)-3-[(3-fluoro-4-methoxy-phen…

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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) 1.50 5.38 -52.87 2 4 0 66 253.273 4 ↓
Hi High (pH 8-9.5) 1.50 3.72 -45.41 1 4 -1 61 252.265 4 ↓

Analogs

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Popular Name: (3S)-3-[(2,6-dichlorophenyl)methyl]pyrrolidine-3-carboxylic (3S)-3-[(2,6-dichlorophenyl)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) 2.61 6.59 -44.73 2 3 0 57 274.147 3 ↓
Hi High (pH 8-9.5) 2.61 5.16 -44.57 1 3 -1 52 273.139 3 ↓

Analogs

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Popular Name: (3R)-3-[(2,6-dichlorophenyl)methyl]pyrrolidine-3-carboxylic (3R)-3-[(2,6-dichlorophenyl)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) 2.61 6.64 -45.15 2 3 0 57 274.147 3 ↓
Hi High (pH 8-9.5) 2.61 5.24 -45.74 1 3 -1 52 273.139 3 ↓

Analogs

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Popular Name: (3S)-3-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic (3S)-3-[[3-(trifluoromethyl)phen…

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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) 2.22 7.01 -48.84 2 3 0 57 273.254 4 ↓
Hi High (pH 8-9.5) 2.22 5.55 -42.69 1 3 -1 52 272.246 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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