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Analogs

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Popular Name: (2R)-2-amino-2-phenyl-N-(3-phenylpropyl)propanamide (2R)-2-amino-2-phenyl-N-(3-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) 3.18 6.55 -7.82 3 3 0 55 282.387 6 ↓
Mid Mid (pH 6-8) 3.18 6.86 -52.47 4 3 1 57 283.395 6 ↓

Analogs

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Popular Name: (2S)-2-amino-2-phenyl-N-(3-phenylpropyl)propanamide (2S)-2-amino-2-phenyl-N-(3-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) 3.18 6.62 -8.81 3 3 0 55 282.387 6 ↓
Mid Mid (pH 6-8) 3.18 6.86 -52.42 4 3 1 57 283.395 6 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide 2-(3-aminophenyl)-N-methyl-N-(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) 2.84 8.85 -11.3 2 3 0 46 282.387 6 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1S)-1-methyl-3-phenyl-propyl]acetamide 2-(3-aminophenyl)-N-[(1S)-1-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) 2.93 7.72 -10.36 3 3 0 55 282.387 6 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide 2-(3-aminophenyl)-N-[(1R)-1-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) 2.93 7.72 -10.4 3 3 0 55 282.387 6 ↓

Analogs

60634549
60634549

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Popular Name: (2R)-N-[(2R)-2-dimethylamino-3-phenyl-propyl]-2-phenyl-butanamide (2R)-N-[(2R)-2-dimethylamino-3-p…

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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) 4.19 11.75 -43.72 2 3 1 34 325.476 8 ↓
Hi High (pH 8-9.5) 4.19 8.77 -8.08 1 3 0 32 324.468 8 ↓

Analogs

60634549
60634549

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Popular Name: (2S)-N-[(2R)-2-dimethylamino-3-phenyl-propyl]-2-phenyl-butanamide (2S)-N-[(2R)-2-dimethylamino-3-p…

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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) 4.19 11.68 -44.31 2 3 1 34 325.476 8 ↓
Hi High (pH 8-9.5) 4.19 8.75 -8.04 1 3 0 32 324.468 8 ↓

Analogs

60634549
60634549

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Popular Name: (2R)-N-[(2S)-2-dimethylamino-3-phenyl-propyl]-2-phenyl-butanamide (2R)-N-[(2S)-2-dimethylamino-3-p…

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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) 4.19 11.33 -43 2 3 1 34 325.476 8 ↓
Hi High (pH 8-9.5) 4.19 9.41 -7.73 1 3 0 32 324.468 8 ↓

Analogs

60634549
60634549

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2S)-2-dimethylamino-3-phenyl-propyl]-2-phenyl-butanamide (2S)-N-[(2S)-2-dimethylamino-3-p…

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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) 4.19 11.79 -44.4 2 3 1 34 325.476 8 ↓
Hi High (pH 8-9.5) 4.19 9.39 -8.33 1 3 0 32 324.468 8 ↓

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2-(4-methoxyphenyl)acetamide N-[3-(4-dimethylaminophenyl)prop…

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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) 3.70 8.52 -13.59 1 4 0 42 326.44 8 ↓

Analogs

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Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2-(4-ethoxyphenyl)acetamide N-[3-(4-dimethylaminophenyl)prop…

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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) 4.08 9.56 -13.56 1 4 0 42 340.467 9 ↓

Analogs

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Popular Name: 2-phenyl-N-[3-(p-tolyl)propyl]acetamide 2-phenyl-N-[3-(p-tolyl)propyl]ac…

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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) 3.99 9.53 -9.56 1 2 0 29 267.372 6 ↓

Analogs

8062773
8062773

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Popular Name: 2-(4-chlorophenyl)-N-[3-(p-tolyl)propyl]acetamide 2-(4-chlorophenyl)-N-[3-(p-tolyl…

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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) 4.67 10.05 -9.83 1 2 0 29 301.817 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-2-(4-fluorophenyl)acetamide N-[(2S)-2-(dimethylamino)-3-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) 3.21 10.61 -47.49 2 3 1 34 315.412 7 ↓
Hi High (pH 8-9.5) 3.21 7.8 -11.06 1 3 0 32 314.404 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(dimethylamino)-3-phenyl-propyl]-2-(4-fluorophenyl)acetamide N-[(2R)-2-(dimethylamino)-3-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) 3.21 10.6 -47.41 2 3 1 34 315.412 7 ↓
Hi High (pH 8-9.5) 3.21 7.59 -9.59 1 3 0 32 314.404 7 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-[3-(m-tolyl)propyl]acetamide 2-(3,4-dimethoxyphenyl)-N-[3-(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) 3.62 8.72 -13.99 1 4 0 48 327.424 8 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-[3-(m-tolyl)propyl]acetamide 2-(4-chlorophenyl)-N-[3-(m-tolyl…

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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) 4.65 10.04 -9.83 1 2 0 29 301.817 6 ↓

Analogs

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Popular Name: 2-(3,4-dimethylphenyl)-N-[(1S)-1-methyl-3-phenyl-propyl]acetamide 2-(3,4-dimethylphenyl)-N-[(1S)-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) 4.70 11.05 -9.89 1 2 0 29 295.426 6 ↓

Analogs

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Popular Name: 2-(3,4-dimethylphenyl)-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide 2-(3,4-dimethylphenyl)-N-[(1R)-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) 4.70 11.05 -9.89 1 2 0 29 295.426 6 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]acetamide 2-(2,4-dichlorophenyl)-N-[(2S)-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) 4.33 11.49 -43.93 2 3 1 34 366.312 7 ↓
Hi High (pH 8-9.5) 4.33 8.68 -9.72 1 3 0 32 365.304 7 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenyl)-N-[(2R)-2-(dimethylamino)-3-phenyl-propyl]acetamide 2-(2,4-dichlorophenyl)-N-[(2R)-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) 4.33 11.47 -45.62 2 3 1 34 366.312 7 ↓
Hi High (pH 8-9.5) 4.33 8.46 -8.35 1 3 0 32 365.304 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-2-(2-fluorophenyl)acetamide N-[(2S)-2-(dimethylamino)-3-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) 3.16 10.58 -43.12 2 3 1 34 315.412 7 ↓
Hi High (pH 8-9.5) 3.16 7.63 -9.93 1 3 0 32 314.404 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(dimethylamino)-3-phenyl-propyl]-2-(2-fluorophenyl)acetamide N-[(2R)-2-(dimethylamino)-3-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) 3.16 10.56 -45.05 2 3 1 34 315.412 7 ↓
Hi High (pH 8-9.5) 3.16 7.79 -10.73 1 3 0 32 314.404 7 ↓

Analogs

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Popular Name: [(2S)-2-[(3,4-dimethylphenyl)methyl]-3-[[2-(4-hydroxy-2-iodo-5-methoxy-phenyl)acetyl]amino]propyl] [(2S)-2-[(3,4-dimethylphenyl)met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 116 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_RAT O35433 Vanilloid Receptor, Rat 116 0.29 Binding ≤ 1μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 116 0.29 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) 6.14 11.84 -15.32 2 6 0 85 567.464 11 ↓

Analogs

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Popular Name: [(2R)-2-[(3,4-dimethylphenyl)methyl]-3-[[2-(4-hydroxy-2-iodo-5-methoxy-phenyl)acetyl]amino]propyl] [(2R)-2-[(3,4-dimethylphenyl)met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 116 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_RAT O35433 Vanilloid Receptor, Rat 116 0.29 Binding ≤ 1μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 116 0.29 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) 6.14 11.83 -15.26 2 6 0 85 567.464 11 ↓

Analogs

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Popular Name: methyl 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) 2.92 6.64 -15.29 2 5 0 76 345.37 8 ↓

Analogs

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Popular Name: methyl 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) 2.92 6.65 -14.93 2 5 0 76 345.37 8 ↓

Analogs

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Popular Name: (2R)-2-[(4-fluorophenyl)methyl]-3-[[(2R)-2-methoxy-2-phenyl-acetyl]amino]propanamide (2R)-2-[(4-fluorophenyl)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) 2.06 5.54 -20.78 3 5 0 81 344.386 8 ↓

Analogs

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Popular Name: (2R)-2-methoxy-N-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]-2-phenyl-acetamide (2R)-2-methoxy-N-[(1S)-3-(4-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) 3.69 9.32 -13.35 1 4 0 48 327.424 8 ↓

Analogs

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Popular Name: (2R)-2-methoxy-N-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]-2-phenyl-acetamide (2R)-2-methoxy-N-[(1R)-3-(4-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) 3.69 9.32 -12.69 1 4 0 48 327.424 8 ↓

Analogs

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Popular Name: (2S)-2-methoxy-N-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]-2-phenyl-acetamide (2S)-2-methoxy-N-[(1S)-3-(4-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) 3.69 9.29 -12.63 1 4 0 48 327.424 8 ↓

Analogs

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Popular Name: (2S)-2-methoxy-N-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]-2-phenyl-acetamide (2S)-2-methoxy-N-[(1R)-3-(4-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) 3.69 9.29 -12.58 1 4 0 48 327.424 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(diethylamino)-3-phenyl-propyl]-2-(2-methoxyphenyl)acetamide N-[(2S)-2-(diethylamino)-3-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) 3.81 10.14 -38.96 2 4 1 43 355.502 10 ↓

Analogs

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Popular Name: N-[(2R)-2-(diethylamino)-3-phenyl-propyl]-2-(2-methoxyphenyl)acetamide N-[(2R)-2-(diethylamino)-3-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) 3.81 11.13 -40.81 2 4 1 43 355.502 10 ↓

Analogs

40414465
40414465

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Popular Name: (2R)-2-chloro-2-phenyl-N-[(3S)-3-phenylbutyl]acetamide (2R)-2-chloro-2-phenyl-N-[(3S)-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) 4.48 9.62 -8.91 1 2 0 29 301.817 6 ↓

Analogs

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Popular Name: (2R)-2-chloro-2-phenyl-N-[(3R)-3-phenylbutyl]acetamide (2R)-2-chloro-2-phenyl-N-[(3R)-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) 4.48 9.62 -9.07 1 2 0 29 301.817 6 ↓

Analogs

40414465
40414465

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Popular Name: (2S)-2-chloro-2-phenyl-N-[(3S)-3-phenylbutyl]acetamide (2S)-2-chloro-2-phenyl-N-[(3S)-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) 4.48 9.62 -9.07 1 2 0 29 301.817 6 ↓

Analogs

40414465
40414465

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-2-phenyl-N-[(3R)-3-phenylbutyl]acetamide (2S)-2-chloro-2-phenyl-N-[(3R)-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) 4.48 9.62 -8.93 1 2 0 29 301.817 6 ↓

Analogs

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Popular Name: (2R)-2-amino-2-phenyl-N-(3-phenylpropyl)acetamide (2R)-2-amino-2-phenyl-N-(3-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) 0.86 5.9 -8.74 3 3 0 55 268.36 6 ↓
Mid Mid (pH 6-8) 0.86 6.21 -45.05 4 3 1 57 269.368 6 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 30502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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