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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

11832312
11832312

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-1,3-benzodioxol-5-yl-(3-pyridyl)methanamine (R)-1,3-benzodioxol-5-yl-(3-pyri…

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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) 1.55 3.08 -55.78 3 4 1 59 229.259 2 ↓
Lo Low (pH 4.5-6) 1.55 3.37 -122.77 4 4 2 60 230.267 2 ↓

Analogs

11832310
11832310

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl-(3-pyridyl)methanamine (S)-1,3-benzodioxol-5-yl-(3-pyri…

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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) 1.55 3.08 -55.77 3 4 1 59 229.259 2 ↓
Lo Low (pH 4.5-6) 1.55 3.37 -122.78 4 4 2 60 230.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(3-pyridyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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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 3.43 -9.48 1 4 0 52 308.131 2 ↓
Lo Low (pH 4.5-6) 2.25 3.89 -41.09 2 4 1 53 309.139 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(3-pyridyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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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 3.43 -9.35 1 4 0 52 308.131 2 ↓
Lo Low (pH 4.5-6) 2.25 3.9 -41.61 2 4 1 53 309.139 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(6-methyl-3-pyridyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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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 4.04 -9.63 1 4 0 52 322.158 2 ↓
Lo Low (pH 4.5-6) 2.30 4.47 -38.27 2 4 1 53 323.166 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(6-methyl-3-pyridyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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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 4.04 -9.51 1 4 0 52 322.158 2 ↓
Lo Low (pH 4.5-6) 2.30 4.47 -38.81 2 4 1 53 323.166 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(5-fluoro-3-pyridyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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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) 2.56 3.5 -9.21 1 4 0 52 326.121 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(5-fluoro-3-pyridyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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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) 2.56 3.5 -9.13 1 4 0 52 326.121 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-chloro-1,3-benzodioxol-5-yl)-(3-pyridyl)methanol (R)-(7-chloro-1,3-benzodioxol-5-…

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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 3.33 -9.58 1 4 0 52 263.68 2 ↓
Lo Low (pH 4.5-6) 2.12 3.78 -41.34 2 4 1 53 264.688 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-chloro-1,3-benzodioxol-5-yl)-(3-pyridyl)methanol (S)-(7-chloro-1,3-benzodioxol-5-…

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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 3.32 -9.48 1 4 0 52 263.68 2 ↓
Lo Low (pH 4.5-6) 2.12 3.79 -41.85 2 4 1 53 264.688 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-chloro-1,3-benzodioxol-5-yl)-(6-methyl-3-pyridyl)methanol (R)-(7-chloro-1,3-benzodioxol-5-…

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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) 2.17 3.94 -9.75 1 4 0 52 277.707 2 ↓
Lo Low (pH 4.5-6) 2.17 4.36 -38.59 2 4 1 53 278.715 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-chloro-1,3-benzodioxol-5-yl)-(6-methyl-3-pyridyl)methanol (S)-(7-chloro-1,3-benzodioxol-5-…

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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) 2.17 3.93 -9.65 1 4 0 52 277.707 2 ↓
Lo Low (pH 4.5-6) 2.17 4.36 -39.07 2 4 1 53 278.715 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-3-pyridyl)methanol (S)-(7-chloro-1,3-benzodioxol-5-…

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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) 2.43 3.39 -9.37 1 4 0 52 281.67 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-3-pyridyl)methanol (R)-(7-chloro-1,3-benzodioxol-5-…

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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) 2.43 3.39 -9.25 1 4 0 52 281.67 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-1,3-benzodioxol-5-yl(3-pyridyl)methanol (R)-1,3-benzodioxol-5-yl(3-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) 1.51 2.83 -9.39 1 4 0 52 229.235 2 ↓
Lo Low (pH 4.5-6) 1.51 3.28 -41.68 2 4 1 53 230.243 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl(3-pyridyl)methanol (S)-1,3-benzodioxol-5-yl(3-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) 1.51 2.8 -9.37 1 4 0 52 229.235 2 ↓
Lo Low (pH 4.5-6) 1.51 3.27 -41.49 2 4 1 53 230.243 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-1,3-benzodioxol-5-yl-(6-methyl-3-pyridyl)methanol (R)-1,3-benzodioxol-5-yl-(6-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) 1.56 3.44 -9.6 1 4 0 52 243.262 2 ↓
Lo Low (pH 4.5-6) 1.56 3.86 -38.78 2 4 1 53 244.27 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl-(6-methyl-3-pyridyl)methanol (S)-1,3-benzodioxol-5-yl-(6-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) 1.56 3.41 -9.51 1 4 0 52 243.262 2 ↓
Lo Low (pH 4.5-6) 1.56 3.84 -38.59 2 4 1 53 244.27 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl-(5-fluoro-3-pyridyl)methanol (S)-1,3-benzodioxol-5-yl-(5-fluo…

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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) 1.82 2.88 -9.45 1 4 0 52 247.225 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-1,3-benzodioxol-5-yl-(5-fluoro-3-pyridyl)methanol (R)-1,3-benzodioxol-5-yl-(5-fluo…

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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) 1.82 2.88 -9.42 1 4 0 52 247.225 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-amino-3-pyridyl)-(7-bromo-1,3-benzodioxol-5-yl)methanol (R)-(2-amino-3-pyridyl)-(7-bromo…

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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) 2.02 2.88 -38.42 4 5 1 79 324.154 2 ↓
Mid Mid (pH 6-8) 2.02 2.41 -9.59 3 5 0 78 323.146 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-amino-3-pyridyl)-(7-bromo-1,3-benzodioxol-5-yl)methanol (S)-(2-amino-3-pyridyl)-(7-bromo…

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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) 2.02 2.86 -38.96 4 5 1 79 324.154 2 ↓
Mid Mid (pH 6-8) 2.02 2.38 -9.44 3 5 0 78 323.146 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-amino-3-pyridyl)-(7-bromo-1,3-benzodioxol-5-yl)methanol (R)-(4-amino-3-pyridyl)-(7-bromo…

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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) 1.66 1.96 -39.31 4 5 1 79 324.154 2 ↓
Hi High (pH 8-9.5) 1.66 1.5 -9.58 3 5 0 78 323.146 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-amino-3-pyridyl)-(7-bromo-1,3-benzodioxol-5-yl)methanol (S)-(4-amino-3-pyridyl)-(7-bromo…

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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) 1.66 1.93 -39.83 4 5 1 79 324.154 2 ↓
Hi High (pH 8-9.5) 1.66 1.47 -9.55 3 5 0 78 323.146 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-amino-3-pyridyl)-(7-chloro-1,3-benzodioxol-5-yl)methanol (R)-(2-amino-3-pyridyl)-(7-chlor…

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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) 1.89 2.78 -38.69 4 5 1 79 279.703 2 ↓
Mid Mid (pH 6-8) 1.89 2.3 -9.71 3 5 0 78 278.695 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-amino-3-pyridyl)-(7-chloro-1,3-benzodioxol-5-yl)methanol (S)-(2-amino-3-pyridyl)-(7-chlor…

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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) 1.89 2.75 -39.19 4 5 1 79 279.703 2 ↓
Mid Mid (pH 6-8) 1.89 2.28 -9.59 3 5 0 78 278.695 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-amino-3-pyridyl)-(7-chloro-1,3-benzodioxol-5-yl)methanol (R)-(4-amino-3-pyridyl)-(7-chlor…

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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) 1.53 1.85 -39.64 4 5 1 79 279.703 2 ↓
Hi High (pH 8-9.5) 1.53 1.4 -9.69 3 5 0 78 278.695 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-amino-3-pyridyl)-(7-chloro-1,3-benzodioxol-5-yl)methanol (S)-(4-amino-3-pyridyl)-(7-chlor…

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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) 1.53 1.83 -40.11 4 5 1 79 279.703 2 ↓
Hi High (pH 8-9.5) 1.53 1.37 -9.71 3 5 0 78 278.695 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-amino-3-pyridyl)-(1,3-benzodioxol-5-yl)methanol (R)-(2-amino-3-pyridyl)-(1,3-ben…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 2.27 -37.96 4 5 1 79 245.258 2 ↓
Mid Mid (pH 6-8) 1.28 1.79 -10.02 3 5 0 78 244.25 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-amino-3-pyridyl)-(1,3-benzodioxol-5-yl)methanol (S)-(2-amino-3-pyridyl)-(1,3-ben…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 2.23 -37.64 4 5 1 79 245.258 2 ↓
Mid Mid (pH 6-8) 1.28 1.75 -10.19 3 5 0 78 244.25 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-amino-3-pyridyl)-(1,3-benzodioxol-5-yl)methanol (S)-(4-amino-3-pyridyl)-(1,3-ben…

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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) 0.92 1.31 -39.61 4 5 1 79 245.258 2 ↓
Hi High (pH 8-9.5) 0.92 0.85 -9.6 3 5 0 78 244.25 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-amino-3-pyridyl)-(1,3-benzodioxol-5-yl)methanol (R)-(4-amino-3-pyridyl)-(1,3-ben…

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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) 0.92 1.34 -39.72 4 5 1 79 245.258 2 ↓
Hi High (pH 8-9.5) 0.92 0.87 -9.66 3 5 0 78 244.25 2 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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