UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-4-methoxy-benzamide N-[[1-(2-furylmethyl)-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) 2.65 7.98 -50.54 2 5 1 56 329.42 6 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-3,5-dimethoxy-benzamide N-[[1-(2-furylmethyl)-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) 2.63 7.3 -49.22 2 6 1 65 359.446 7 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-3-nitro-benzamide N-[[1-(2-furylmethyl)-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) 2.53 9.31 -58.85 2 7 1 92 344.391 6 ↓

Analogs

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Popular Name: 4-chloro-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]benzamide 4-chloro-N-[[1-(2-furylmethyl)-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) 3.27 9.18 -48.87 2 4 1 47 333.839 5 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-4-nitro-benzamide N-[[1-(2-furylmethyl)-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) 2.55 9.33 -54.04 2 7 1 92 344.391 6 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-2,3-dimethoxy-benzamide N-[[1-(2-furylmethyl)-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) 2.96 8.99 -52.98 2 6 1 65 359.446 7 ↓

Analogs

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Popular Name: 4-ethyl-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]benzamide 4-ethyl-N-[[1-(2-furylmethyl)-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) 3.50 10.1 -48.39 2 4 1 47 327.448 6 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-2-methyl-3-nitro-benzamide N-[[1-(2-furylmethyl)-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) 2.90 9.58 -57.5 2 7 1 92 358.418 6 ↓

Analogs

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Popular Name: 5-bromo-2-chloro-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]benzamide 5-bromo-2-chloro-N-[[1-(2-furylm…

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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) 4.01 9.79 -46.34 2 4 1 47 412.735 5 ↓

Analogs

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Popular Name: 5-chloro-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-2-nitro-benzamide 5-chloro-N-[[1-(2-furylmethyl)-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) 3.16 10.86 -54.18 2 7 1 92 378.836 6 ↓

Analogs

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Popular Name: 2-chloro-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-5-nitro-benzamide 2-chloro-N-[[1-(2-furylmethyl)-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) 3.16 9.85 -47.8 2 7 1 92 378.836 6 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-3-methyl-4-nitro-benzamide N-[[1-(2-furylmethyl)-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) 2.93 9.92 -52.74 2 7 1 92 358.418 6 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-4-(trifluoromethyl)benzamide N-[[1-(2-furylmethyl)-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) 3.49 9.66 -49.85 2 4 1 47 367.391 6 ↓

Analogs

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Popular Name: 5-chloro-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-2-methoxy-benzamide 5-chloro-N-[[1-(2-furylmethyl)-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) 3.80 9.76 -48.02 2 5 1 56 363.865 6 ↓

Analogs

39981415
39981415

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Popular Name: 3-fluoro-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]benzamide 3-fluoro-N-[[1-(2-furylmethyl)-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) 2.73 8.72 -46.02 2 4 1 47 317.384 5 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-4,5-dimethoxy-2-nitro-benzamide N-[[1-(2-furylmethyl)-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) 2.12 9.61 -58.71 2 9 1 111 404.443 8 ↓

Analogs

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Popular Name: 2,5-dichloro-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]benzamide 2,5-dichloro-N-[[1-(2-furylmethy…

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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) 3.87 9.69 -46.56 2 4 1 47 368.284 5 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-4-propyl-benzamide N-[[1-(2-furylmethyl)-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) 3.90 10.87 -48.31 2 4 1 47 341.475 7 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-2-nitro-benzamide N-[[1-(2-furylmethyl)-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) 2.50 10 -55.08 2 7 1 92 344.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-2-methoxy-benzamide N-[[1-(2-furylmethyl)-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) 3.15 9.24 -50.97 2 5 1 56 329.42 6 ↓

Analogs

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Popular Name: 3-bromo-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]benzamide 3-bromo-N-[[1-(2-furylmethyl)-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) 3.38 9.28 -45.56 2 4 1 47 378.29 5 ↓

Analogs

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Popular Name: 4-bromo-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]benzamide 4-bromo-N-[[1-(2-furylmethyl)-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) 3.40 9.29 -48.78 2 4 1 47 378.29 5 ↓

Analogs

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Popular Name: 3-chloro-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]benzamide 3-chloro-N-[[1-(2-furylmethyl)-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) 3.24 9.17 -45.67 2 4 1 47 333.839 5 ↓

Analogs

38583790
38583790

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-3,4-dimethyl-benzamide N-[[1-(2-furylmethyl)-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) 3.42 9.98 -48.21 2 4 1 47 327.448 5 ↓

Analogs

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Popular Name: 3,4,5-triethoxy-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]benzamide 3,4,5-triethoxy-N-[[1-(2-furylme…

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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) 3.35 10.62 -54.02 2 7 1 74 431.553 11 ↓

Analogs

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Popular Name: 2-bromo-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]benzamide 2-bromo-N-[[1-(2-furylmethyl)-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) 3.35 9.28 -49.02 2 4 1 47 378.29 5 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-4-methyl-3-nitro-benzamide N-[[1-(2-furylmethyl)-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) 2.93 9.85 -59.02 2 7 1 92 358.418 6 ↓

Analogs

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Popular Name: 4-chloro-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-3-nitro-benzamide 4-chloro-N-[[1-(2-furylmethyl)-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) 3.16 9.69 -59.06 2 7 1 92 378.836 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]benzamide N-[[1-(2-furylmethyl)-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) 2.59 8.66 -48.61 2 4 1 47 299.394 5 ↓

Analogs

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Popular Name: 2-chloro-N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-4-nitro-benzamide 2-chloro-N-[[1-(2-furylmethyl)-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) 3.16 9.84 -54.71 2 7 1 92 378.836 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-4-methyl-benzamide N-[[1-(2-furylmethyl)-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) 3.04 9.32 -48.52 2 4 1 47 313.421 5 ↓

Analogs

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Popular Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-2-methylsulfanyl-benzamide N-[[1-(2-furylmethyl)-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) 2.98 9.7 -47.94 2 4 1 47 345.488 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 2.76 9.28 -49.54 2 6 1 73 357.43 7 ↓

Parameters Provided:

ring.id = 132449
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 132449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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