UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[3-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine 4-[3-(trifluoromethoxy)phenyl]-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) 2.68 5.79 -43.48 2 2 1 26 244.236 3 ↓

Analogs

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Popular Name: 4-(4-allyloxyphenyl)-1,2,3,6-tetrahydropyridine 4-(4-allyloxyphenyl)-1,2,3,6-tet…

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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) 2.44 6.81 -44.92 2 2 1 26 216.304 4 ↓

Analogs

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Popular Name: 4-[4-[(E)-3-chloroprop-2-enoxy]phenyl]-1,2,3,6-tetrahydropyridine 4-[4-[(E)-3-chloroprop-2-enoxy]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) 2.58 7.41 -45.69 2 2 1 26 250.749 4 ↓

Analogs

37804729
37804729
37804732
37804732
37804754
37804754
37804755
37804755

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Popular Name: 6-oxo-6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)hexanoic 6-oxo-6-(4-phenyl-3,6-dihydro-2H…

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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 10.29 -48.73 0 4 -1 60 286.351 6 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide N-(2-acetamidoethyl)-4-(4-hydrox…

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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 2.49 -15.1 3 6 0 82 303.362 4 ↓

Analogs

37804731
37804731
37804739
37804739
37804750
37804750
38234719
38234719
44671027
44671027

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Popular Name: 1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-2-en-1-one 1-(4-phenyl-3,6-dihydro-2H-pyrid…

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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) 2.30 7.73 -8.49 0 2 0 20 213.28 2 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide N-[(1R)-1-methyl-2-oxo-2-[4-(2,4…

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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) 1.15 4.29 -13.22 1 7 0 77 362.426 6 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-oxo-2-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]acetamide N-[(1S)-1-methyl-2-oxo-2-[4-(2,4…

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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) 1.15 4.23 -13.73 1 7 0 77 362.426 6 ↓

Analogs

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Popular Name: 2-methylsulfanyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone 2-methylsulfanyl-1-[4-(2,4,6-tri…

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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) 2.20 6.55 -13.93 0 5 0 48 337.441 6 ↓

Analogs

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Popular Name: (2R)-3-chloro-2-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (2R)-3-chloro-2-methyl-1-(4-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) 3.00 9.08 -6.54 0 2 0 20 263.768 3 ↓

Analogs

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Popular Name: (2S)-3-chloro-2-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (2S)-3-chloro-2-methyl-1-(4-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) 3.00 8.93 -6.61 0 2 0 20 263.768 3 ↓

Analogs

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Popular Name: (2S)-1,1,1-trifluoro-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol (2S)-1,1,1-trifluoro-3-(4-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) 2.61 7.4 -27 1 2 0 27 271.282 4 ↓
Hi High (pH 8-9.5) 2.61 4.57 -4.41 1 2 0 23 271.282 4 ↓

Analogs

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Popular Name: (2R)-1,1,1-trifluoro-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol (2R)-1,1,1-trifluoro-3-(4-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) 2.61 7.3 -27.62 1 2 0 27 271.282 4 ↓
Hi High (pH 8-9.5) 2.61 4.46 -4.48 1 2 0 23 271.282 4 ↓

Analogs

43604971
43604971

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Popular Name: 3-(ethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one 3-(ethylamino)-1-(4-phenyl-3,6-d…

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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) 1.73 8.1 -44.87 2 3 1 37 259.373 5 ↓

Analogs

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Popular Name: 2-(ethylamino)-2-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one 2-(ethylamino)-2-methyl-1-(4-phe…

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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) 2.62 7.88 -36.97 2 3 1 37 273.4 4 ↓
Hi High (pH 8-9.5) 2.62 7.97 -6.08 1 3 0 32 272.392 4 ↓

Analogs

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Popular Name: 2-methyl-2-(methylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one 2-methyl-2-(methylamino)-1-(4-ph…

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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 7.03 -38.1 2 3 1 37 259.373 3 ↓
Hi High (pH 8-9.5) 2.25 7.24 -6.36 1 3 0 32 258.365 3 ↓

Analogs

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Popular Name: (2S)-2-bromo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (2S)-2-bromo-1-(4-phenyl-3,6-dih…

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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) 3.25 9.26 -7.32 0 2 0 20 308.219 3 ↓

Analogs

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Popular Name: (2R)-2-bromo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (2R)-2-bromo-1-(4-phenyl-3,6-dih…

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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) 3.25 9.26 -7.33 0 2 0 20 308.219 3 ↓

Analogs

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Popular Name: 2-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]-N-isobutyl-acetamide 2-[4-(1-acetyl-3,6-dihydro-2H-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) 1.98 8.38 -17.01 1 5 0 59 330.428 6 ↓

Analogs

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Popular Name: hexyl hexyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-1-E Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic Eukaryotes 27 0.46 Binding ≤ 10μM
ACM2-4-E Muscarinic Acetylcholine Receptor M2 (cluster #4 Of 6), Eukaryotic Eukaryotes 2734 0.34 Binding ≤ 10μM
ACM3-4-E Muscarinic Acetylcholine Receptor M3 (cluster #4 Of 5), Eukaryotic Eukaryotes 1308 0.36 Binding ≤ 10μM
ACM4-6-E Muscarinic Acetylcholine Receptor M4 (cluster #6 Of 6), Eukaryotic Eukaryotes 2030 0.35 Binding ≤ 10μM
ACM5-3-E Muscarinic Acetylcholine Receptor M5 (cluster #3 Of 4), Eukaryotic Eukaryotes 508 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 21.1 0.47 Binding ≤ 1μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 457.8 0.39 Binding ≤ 1μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 505.6 0.38 Binding ≤ 1μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 162.5 0.41 Binding ≤ 1μM
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 21.1 0.47 Binding ≤ 10μM
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 1304.6 0.36 Binding ≤ 10μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 457.8 0.39 Binding ≤ 10μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 505.6 0.38 Binding ≤ 10μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 162.5 0.41 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) 5.12 10.84 -4.08 0 3 0 30 315.457 9 ↓

Analogs

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Popular Name: hexyl hexyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-1-E Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic Eukaryotes 27 0.46 Binding ≤ 10μM
ACM2-4-E Muscarinic Acetylcholine Receptor M2 (cluster #4 Of 6), Eukaryotic Eukaryotes 2734 0.34 Binding ≤ 10μM
ACM3-4-E Muscarinic Acetylcholine Receptor M3 (cluster #4 Of 5), Eukaryotic Eukaryotes 1308 0.36 Binding ≤ 10μM
ACM4-6-E Muscarinic Acetylcholine Receptor M4 (cluster #6 Of 6), Eukaryotic Eukaryotes 2030 0.35 Binding ≤ 10μM
ACM5-3-E Muscarinic Acetylcholine Receptor M5 (cluster #3 Of 4), Eukaryotic Eukaryotes 508 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 21.1 0.47 Binding ≤ 1μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 457.8 0.39 Binding ≤ 1μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 505.6 0.38 Binding ≤ 1μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 162.5 0.41 Binding ≤ 1μM
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 21.1 0.47 Binding ≤ 10μM
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 1304.6 0.36 Binding ≤ 10μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 457.8 0.39 Binding ≤ 10μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 505.6 0.38 Binding ≤ 10μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 162.5 0.41 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) 5.12 11.15 -4.21 0 3 0 30 315.457 9 ↓

Analogs

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Popular Name: 4-[4-(3-methylsulfonylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine 4-[4-(3-methylsulfonylpropoxy)ph…

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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) 1.46 4.59 -55.49 2 4 1 60 296.412 6 ↓

Analogs

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Popular Name: N-[2-(methanesulfonamido)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide N-[2-(methanesulfonamido)ethyl]-…

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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) 1.69 3.12 -18.88 2 6 0 79 323.418 5 ↓

Analogs

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Popular Name: 4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanenitrile 4-(4-phenyl-3,6-dihydro-2H-pyrid…

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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 10.14 -50.87 1 2 1 28 227.331 4 ↓
Mid Mid (pH 6-8) 2.06 7.88 -8.63 0 2 0 27 226.323 4 ↓

Analogs

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Popular Name: 3-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-3-oxo-propanenitrile 3-[4-(4-methoxyphenyl)-3,6-dihyd…

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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) 2.65 7.56 -9.91 0 4 0 53 284.359 3 ↓

Analogs

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Popular Name: (2S)-3-[[2-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-ethyl]-methyl-amino]-2-methyl-pro (2S)-3-[[2-[4-(4-methoxyphenyl)-…

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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) 2.27 7.68 -16.35 0 5 0 57 327.428 6 ↓
Mid Mid (pH 6-8) 2.27 9.67 -53.58 1 5 1 58 328.436 6 ↓

Analogs

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Popular Name: (2R)-3-[[2-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-ethyl]-methyl-amino]-2-methyl-pro (2R)-3-[[2-[4-(4-methoxyphenyl)-…

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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) 2.27 7.68 -17.07 0 5 0 57 327.428 6 ↓
Mid Mid (pH 6-8) 2.27 9.7 -54.15 1 5 1 58 328.436 6 ↓

Analogs

27974060
27974060

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Popular Name: N,N-diethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide N,N-diethyl-4-phenyl-3,6-dihydro…

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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) 2.46 6.66 -7.88 0 4 0 41 294.42 5 ↓

Analogs

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Popular Name: 2-ethoxy-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone 2-ethoxy-1-(4-phenyl-3,6-dihydro…

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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) 2.01 8.38 -11.3 0 3 0 30 245.322 4 ↓

Analogs

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Popular Name: 4-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one 4-amino-4-methyl-1-(4-phenyl-3,6…

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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) 2.41 7.35 -50.33 3 3 1 48 273.4 4 ↓

Analogs

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Popular Name: 5-amino-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one 5-amino-1-(4-phenyl-3,6-dihydro-…

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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 6.96 -49.28 3 3 1 48 259.373 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.12 9.75 -8.02 0 4 0 47 287.359 6 ↓

Analogs

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Popular Name: (4S)-4-amino-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (4S)-4-amino-1-(4-phenyl-3,6-dih…

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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 6.91 -52.15 3 3 1 48 259.373 4 ↓

Analogs

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Popular Name: (4R)-4-amino-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (4R)-4-amino-1-(4-phenyl-3,6-dih…

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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 6.9 -52.75 3 3 1 48 259.373 4 ↓

Analogs

40119693
40119693
19269062
19269062
19274672
19274672
19386225
19386225

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Popular Name: N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide N-ethyl-N-methyl-2-[4-(1,2,3,6-t…

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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) 1.52 7.84 -52.32 2 4 1 46 275.372 5 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]propanamide (2S)-2-methyl-3-[4-(1,2,3,6-tetr…

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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) 1.27 3.79 -47.11 4 4 1 69 261.345 5 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]propanamide (2R)-2-methyl-3-[4-(1,2,3,6-tetr…

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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) 1.27 3.79 -47.13 4 4 1 69 261.345 5 ↓

Analogs

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Popular Name: 4-[4-(3,3-dimethylbutoxy)phenyl]-1,2,3,6-tetrahydropyridine 4-[4-(3,3-dimethylbutoxy)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) 3.77 8.75 -42.5 2 2 1 26 260.401 5 ↓

Analogs

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Popular Name: 4-[4-(2-isopropoxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine 4-[4-(2-isopropoxyethoxy)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) 2.42 7.22 -44.35 2 3 1 35 262.373 6 ↓

Analogs

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Popular Name: 4-[4-(2-butoxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine 4-[4-(2-butoxyethoxy)phenyl]-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) 3.12 8.05 -44.37 2 3 1 35 276.4 8 ↓

Analogs

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Popular Name: 4-[4-(2-isopentyloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine 4-[4-(2-isopentyloxyethoxy)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) 3.34 8.56 -44.28 2 3 1 35 290.427 8 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide N-(3-methoxypropyl)-4-phenyl-3,6…

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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) 2.79 6.81 -9.14 1 4 0 42 274.364 5 ↓

Analogs

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Popular Name: 4-(4-hydroxyphenyl)-N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide 4-(4-hydroxyphenyl)-N-propyl-3,6…

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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 4.92 -10.51 2 4 0 53 260.337 3 ↓

Analogs

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Popular Name: 4-(4-hydroxyphenyl)-N-isobutyl-3,6-dihydro-2H-pyridine-1-carboxamide 4-(4-hydroxyphenyl)-N-isobutyl-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) 3.18 5.66 -10.16 2 4 0 53 274.364 3 ↓

Analogs

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Popular Name: N-[6-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-oxo-hexyl]acetamide N-[6-[4-(4-methoxyphenyl)-3,6-di…

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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) 2.41 8.02 -15.82 1 5 0 59 344.455 8 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide N-(2-methoxyethyl)-2-[4-(1,2,3,6…

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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) 0.88 4.76 -51.6 3 5 1 64 291.371 7 ↓

Analogs

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Popular Name: N-[2-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxo-ethyl]-N-methyl-methanesulfonamide N-[2-[4-(4-methoxyphenyl)-3,6-di…

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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) 1.11 4.78 -23.29 0 6 0 67 338.429 5 ↓

Analogs

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Popular Name: N-butyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide N-butyl-2-[4-(1,2,3,6-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) 2.34 7.23 -51.36 3 4 1 55 289.399 7 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide N-(2-bromoallyl)-4-(4-hydroxyphe…

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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 5.32 -9.63 2 4 0 53 337.217 3 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide N-(2-bromoallyl)-4-phenyl-3,6-di…

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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) 3.64 8.16 -7.78 1 3 0 32 321.218 3 ↓

Parameters Provided:

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