UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(4-benzyl-1-piperidyl)methyl]benzoic 2-[(4-benzyl-1-piperidyl)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) 3.84 2.01 -41.95 1 3 0 45 309.409 5 ↓

Analogs

12572948
12572948

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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) 3.74 2.45 -46.7 2 5 1 60 402.486 8 ↓

Analogs

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Popular Name: [4-benzyl-1-[(2-methoxyphenyl)methyl]-4-piperidyl]methanol [4-benzyl-1-[(2-methoxyphenyl)me…

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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) 3.40 0.57 -36.21 2 3 1 34 326.46 6 ↓

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) 3.61 2.13 -58.11 2 6 1 69 414.522 9 ↓

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) 4.91 1.46 -51.92 2 5 1 60 418.941 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) 4.43 3.74 -55.89 2 4 1 51 422.467 8 ↓

Analogs

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Popular Name: [4-[(2-chlorophenyl)methyl]-1-[(2-ethoxyphenyl)methyl]-4-piperidyl]methanol [4-[(2-chlorophenyl)methyl]-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) 4.40 0.53 -35.91 2 3 1 34 374.932 7 ↓

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) 5.17 5.52 -50.82 1 5 1 49 466.52 10 ↓

Analogs

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Popular Name: 4-[(1-benzyl-4-piperidyl)methyl]aniline 4-[(1-benzyl-4-piperidyl)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) 3.39 10.26 -37.72 3 2 1 30 281.423 4 ↓

Analogs

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Popular Name: 4-[[1-(o-tolylmethyl)-4-piperidyl]methyl]aniline 4-[[1-(o-tolylmethyl)-4-piperidy…

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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) 3.80 11.19 -36.51 3 2 1 30 295.45 4 ↓

Analogs

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Popular Name: 4-[[1-(m-tolylmethyl)-4-piperidyl]methyl]aniline 4-[[1-(m-tolylmethyl)-4-piperidy…

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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) 3.82 11.06 -37.32 3 2 1 30 295.45 4 ↓

Analogs

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Popular Name: 4-[[1-(p-tolylmethyl)-4-piperidyl]methyl]aniline 4-[[1-(p-tolylmethyl)-4-piperidy…

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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) 3.84 11.07 -37.24 3 2 1 30 295.45 4 ↓

Analogs

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Popular Name: 4-[[1-[(2-fluorophenyl)methyl]-4-piperidyl]methyl]aniline 4-[[1-[(2-fluorophenyl)methyl]-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) 3.51 10.28 -36.64 3 2 1 30 299.413 4 ↓

Analogs

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Popular Name: 4-[[1-[(3-fluorophenyl)methyl]-4-piperidyl]methyl]aniline 4-[[1-[(3-fluorophenyl)methyl]-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) 3.53 10.46 -41.78 3 2 1 30 299.413 4 ↓

Analogs

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Popular Name: 4-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]aniline 4-[[1-[(4-fluorophenyl)methyl]-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) 3.56 10.46 -42.84 3 2 1 30 299.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-[(2-chlorophenyl)methyl]-4-piperidyl]methyl]aniline 4-[[1-[(2-chlorophenyl)methyl]-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) 4.02 11 -32.94 3 2 1 30 315.868 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]aniline 4-[[1-[(3-chlorophenyl)methyl]-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) 4.05 10.91 -40.79 3 2 1 30 315.868 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]aniline 4-[[1-[(4-chlorophenyl)methyl]-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) 4.07 10.91 -41.79 3 2 1 30 315.868 4 ↓

Analogs

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Popular Name: [4-[[3-(trifluoromethyl)phenyl]methyl]-1-[(2,4,5-trimethoxyphenyl)methyl]-4-piperidyl]methanol [4-[[3-(trifluoromethyl)phenyl]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) 3.89 3.09 -44.66 2 5 1 52 454.509 9 ↓

Analogs

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Popular Name: [1-[[2-(difluoromethoxy)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidyl]methanol [1-[[2-(difluoromethoxy)phenyl]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) 4.82 3.74 -46.16 2 3 1 34 430.437 8 ↓

Analogs

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Popular Name: [4-[(4-methoxyphenyl)methyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]-4-piperidyl]methanol [4-[(4-methoxyphenyl)methyl]-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) 4.41 9.01 -46.27 2 4 1 43 410.456 8 ↓

Analogs

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Popular Name: 1-[3-[[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethanone 1-[3-[[4-[(4-chlorophenyl)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) 3.94 0.76 -46.97 2 3 1 42 372.916 6 ↓

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) 4.27 4.5 -46.59 1 4 1 48 398.498 8 ↓

Analogs

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Popular Name: [1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidyl]methanol [1-[(3-ethoxy-4-methoxy-phenyl)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) 4.28 10.9 -51.96 2 4 1 43 438.51 9 ↓

Analogs

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Popular Name: [4-[(4-methoxyphenyl)methyl]-1-[(2,4,5-trimethylphenyl)methyl]-4-piperidyl]methanol [4-[(4-methoxyphenyl)methyl]-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) 4.64 1.53 -41.18 2 3 1 34 368.541 6 ↓

Analogs

39306024
39306024

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Popular Name: [1-[(2-fluoro-5-methoxy-phenyl)methyl]-4-[(4-methoxyphenyl)methyl]-4-piperidyl]methanol [1-[(2-fluoro-5-methoxy-phenyl)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) 3.59 0.94 -40.75 2 4 1 43 374.476 7 ↓

Analogs

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Popular Name: [4-[(4-chlorophenyl)methyl]-1-[(3,4-difluorophenyl)methyl]-4-piperidyl]methanol [4-[(4-chlorophenyl)methyl]-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) 4.32 10.55 -50.73 2 2 1 25 366.859 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) 4.97 3.75 -56.12 2 4 1 51 474.543 9 ↓

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) 4.34 2.22 -37.16 2 4 1 51 372.46 7 ↓

Analogs

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Popular Name: 4-[(4-benzyl-1-piperidyl)methyl]-N-(1-isopropyl-2-methyl-propyl)benzamide 4-[(4-benzyl-1-piperidyl)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) 5.74 15.44 -46.9 2 3 1 34 407.622 8 ↓

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) 4.81 3.77 -54.79 1 4 1 48 414.953 8 ↓

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) 3.60 1.82 -53.03 2 5 1 60 384.496 8 ↓

Analogs

39306141
39306141

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Popular Name: [4-benzyl-1-[(2-chloro-3,4-dimethoxy-phenyl)methyl]-4-piperidyl]methanol [4-benzyl-1-[(2-chloro-3,4-dimet…

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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) 3.84 0.93 -43.2 2 4 1 43 390.931 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 4.44 3.43 -50.03 2 5 1 60 452.493 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-benzyl-1-[(2,3-difluorophenyl)methyl]-4-piperidyl]methanol [4-benzyl-1-[(2,3-difluorophenyl…

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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 9.72 -42.19 2 2 1 25 332.414 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 4.30 12.14 -41.31 1 5 1 49 398.523 9 ↓

Analogs

39306290
39306290
39307765
39307765

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]-4-piperidyl]methanol [1-[(2-chlorophenyl)methyl]-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) 4.07 0.41 -39.1 2 3 1 34 360.905 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)-1-piperidyl]methyl]phenol 4-chloro-2-[[4-[(2-chlorophenyl)…

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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) 4.61 -2.29 -41.2 3 3 1 45 381.323 5 ↓

Analogs

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Popular Name: [1,4-bis[[3-(trifluoromethyl)phenyl]methyl]-4-piperidyl]methanol [1,4-bis[[3-(trifluoromethyl)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) 5.13 4.77 -51.02 2 2 1 25 432.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-benzyl-1-[(4-methoxyphenyl)methyl]-4-piperidyl]methanol [4-benzyl-1-[(4-methoxyphenyl)me…

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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) 3.44 0.45 -43.53 2 3 1 34 326.46 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-[(2-methoxyphenyl)methyl]-1-piperidyl]methyl]-N-methyl-benzamide 4-[[4-[(2-methoxyphenyl)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) 3.52 10.3 -47.42 2 4 1 43 353.486 6 ↓

Analogs

41841281
41841281

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Popular Name: 3-[[4-[(R)-hydroxy(phenyl)methyl]-1-piperidyl]methyl]benzonitrile 3-[[4-[(R)-hydroxy(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) 3.06 9.76 -48.56 2 3 1 48 307.417 4 ↓
Hi High (pH 8-9.5) 3.06 7.51 -7.4 1 3 0 47 306.409 4 ↓

Analogs

41841278
41841278

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Popular Name: 3-[[4-[(S)-hydroxy(phenyl)methyl]-1-piperidyl]methyl]benzonitrile 3-[[4-[(S)-hydroxy(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) 3.06 9.92 -48.96 2 3 1 48 307.417 4 ↓
Hi High (pH 8-9.5) 3.06 7.67 -7.15 1 3 0 47 306.409 4 ↓

Analogs

41841347
41841347

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Popular Name: 2-[[4-[(R)-hydroxy(phenyl)methyl]-1-piperidyl]methyl]benzonitrile 2-[[4-[(R)-hydroxy(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) 3.03 9.64 -39.42 2 3 1 48 307.417 4 ↓
Hi High (pH 8-9.5) 3.03 7.39 -8.21 1 3 0 47 306.409 4 ↓

Analogs

41841344
41841344

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Popular Name: 2-[[4-[(S)-hydroxy(phenyl)methyl]-1-piperidyl]methyl]benzonitrile 2-[[4-[(S)-hydroxy(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) 3.03 9.8 -39.37 2 3 1 48 307.417 4 ↓
Hi High (pH 8-9.5) 3.03 7.55 -7.56 1 3 0 47 306.409 4 ↓

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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 = 42942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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