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

35500971
35500971

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-bromo-3-pyridyl)-N-methyl-methanamine (1S)-1-(6-bromo-2,3-dihydro-1,4-…

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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 6.42 -45.64 2 4 1 48 415.105 3 ↓
Mid Mid (pH 6-8) 3.24 5.54 -5.34 1 4 0 43 414.097 3 ↓

Analogs

35500970
35500970

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-bromo-3-pyridyl)-N-methyl-methanamine (1R)-1-(6-bromo-2,3-dihydro-1,4-…

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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 6.3 -45.01 2 4 1 48 415.105 3 ↓
Mid Mid (pH 6-8) 3.24 5.42 -5.45 1 4 0 43 414.097 3 ↓

Analogs

35500987
35500987

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(3-pyridyl)methanamine (1S)-1-(6-bromo-2,3-dihydro-1,4-…

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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) 2.28 5.81 -42.84 2 4 1 48 336.209 3 ↓
Mid Mid (pH 6-8) 2.28 4.95 -6.52 1 4 0 43 335.201 3 ↓

Analogs

35500986
35500986

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(3-pyridyl)methanamine (1R)-1-(6-bromo-2,3-dihydro-1,4-…

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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) 2.28 5.7 -42.24 2 4 1 48 336.209 3 ↓
Mid Mid (pH 6-8) 2.28 4.81 -6.7 1 4 0 43 335.201 3 ↓

Analogs

35501353
35501353

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-bromo-3-pyridyl)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-methanamine (1S)-1-(5-bromo-3-pyridyl)-1-(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) 3.11 6.36 -46.06 2 4 1 48 370.654 3 ↓
Hi High (pH 8-9.5) 3.11 5.54 -5.38 1 4 0 43 369.646 3 ↓

Analogs

35501352
35501352

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-3-pyridyl)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-methanamine (1R)-1-(5-bromo-3-pyridyl)-1-(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) 3.11 6.26 -45.42 2 4 1 48 370.654 3 ↓
Hi High (pH 8-9.5) 3.11 5.41 -5.49 1 4 0 43 369.646 3 ↓

Analogs

35501369
35501369

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(3-pyridyl)methanamine (1S)-1-(6-chloro-2,3-dihydro-1,4…

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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) 2.15 5.77 -43.2 2 4 1 48 291.758 3 ↓
Hi High (pH 8-9.5) 2.15 4.94 -6.51 1 4 0 43 290.75 3 ↓

Analogs

35501368
35501368

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(3-pyridyl)methanamine (1R)-1-(6-chloro-2,3-dihydro-1,4…

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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) 2.15 5.67 -42.57 2 4 1 48 291.758 3 ↓
Hi High (pH 8-9.5) 2.15 4.81 -6.61 1 4 0 43 290.75 3 ↓

Analogs

11832220
11832220

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2,3-dihydro-1,4-benzodioxin-6-yl-(3-pyridyl)methanamine (R)-2,3-dihydro-1,4-benzodioxin-…

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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) 1.17 3.57 -53.09 3 4 1 59 243.286 2 ↓
Lo Low (pH 4.5-6) 1.17 3.85 -118.54 4 4 2 60 244.294 2 ↓

Analogs

11832215
11832215

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2,3-dihydro-1,4-benzodioxin-6-yl-(3-pyridyl)methanamine (S)-2,3-dihydro-1,4-benzodioxin-…

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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) 1.17 3.57 -53.13 3 4 1 59 243.286 2 ↓
Lo Low (pH 4.5-6) 1.17 3.86 -118.2 4 4 2 60 244.294 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2,3-dihydro-1,4-benzodioxin-6-yl-(6-methyl-3-pyridyl)methanol (R)-2,3-dihydro-1,4-benzodioxin-…

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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) 1.18 3.92 -9.65 1 4 0 52 257.289 2 ↓
Lo Low (pH 4.5-6) 1.18 4.35 -36.79 2 4 1 53 258.297 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2,3-dihydro-1,4-benzodioxin-6-yl-(6-methyl-3-pyridyl)methanol (S)-2,3-dihydro-1,4-benzodioxin-…

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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) 1.18 3.9 -9.5 1 4 0 52 257.289 2 ↓
Lo Low (pH 4.5-6) 1.18 4.32 -37.03 2 4 1 53 258.297 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2,3-dihydro-1,4-benzodioxin-6-yl-(5-fluoro-3-pyridyl)methanol (S)-2,3-dihydro-1,4-benzodioxin-…

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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) 1.44 3.37 -9.12 1 4 0 52 261.252 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2,3-dihydro-1,4-benzodioxin-6-yl-(5-fluoro-3-pyridyl)methanol (R)-2,3-dihydro-1,4-benzodioxin-…

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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) 1.44 3.37 -9.18 1 4 0 52 261.252 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-pyridyl)methanol (R)-(5-chloro-2,3-dihydro-1,4-be…

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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) 1.93 3.83 -9.66 1 4 0 52 277.707 2 ↓
Lo Low (pH 4.5-6) 1.93 4.29 -39.99 2 4 1 53 278.715 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-pyridyl)methanol (S)-(5-chloro-2,3-dihydro-1,4-be…

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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) 1.93 3.83 -9.57 1 4 0 52 277.707 2 ↓
Lo Low (pH 4.5-6) 1.93 4.3 -40.06 2 4 1 53 278.715 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(6-methyl-3-pyridyl)methanol (R)-(5-chloro-2,3-dihydro-1,4-be…

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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) 1.99 4.45 -9.81 1 4 0 52 291.734 2 ↓
Lo Low (pH 4.5-6) 1.99 4.88 -37.11 2 4 1 53 292.742 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(6-methyl-3-pyridyl)methanol (S)-(5-chloro-2,3-dihydro-1,4-be…

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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) 1.99 4.44 -9.74 1 4 0 52 291.734 2 ↓
Lo Low (pH 4.5-6) 1.99 4.87 -37.18 2 4 1 53 292.742 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-(5-fluoro-3-pyridyl)methanol (S)-(8-chloro-2,3-dihydro-1,4-be…

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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) 2.24 3.91 -9.17 1 4 0 52 295.697 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-(5-fluoro-3-pyridyl)methanol (R)-(8-chloro-2,3-dihydro-1,4-be…

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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) 2.24 3.91 -9.17 1 4 0 52 295.697 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-pyridyl)methanol (R)-(5-bromo-2,3-dihydro-1,4-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) 2.06 3.96 -9.52 1 4 0 52 322.158 2 ↓
Lo Low (pH 4.5-6) 2.06 4.42 -39.75 2 4 1 53 323.166 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-pyridyl)methanol (S)-(5-bromo-2,3-dihydro-1,4-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) 2.06 3.96 -9.45 1 4 0 52 322.158 2 ↓
Lo Low (pH 4.5-6) 2.06 4.43 -39.84 2 4 1 53 323.166 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(6-methyl-3-pyridyl)methanol (R)-(5-bromo-2,3-dihydro-1,4-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) 2.12 4.57 -9.67 1 4 0 52 336.185 2 ↓
Lo Low (pH 4.5-6) 2.12 5 -36.88 2 4 1 53 337.193 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(6-methyl-3-pyridyl)methanol (S)-(5-bromo-2,3-dihydro-1,4-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) 2.12 4.57 -9.67 1 4 0 52 336.185 2 ↓
Lo Low (pH 4.5-6) 2.12 5 -36.94 2 4 1 53 337.193 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-(5-fluoro-3-pyridyl)methanol (S)-(8-bromo-2,3-dihydro-1,4-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) 2.37 4.03 -9.01 1 4 0 52 340.148 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-(5-fluoro-3-pyridyl)methanol (R)-(8-bromo-2,3-dihydro-1,4-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) 2.37 4.03 -8.99 1 4 0 52 340.148 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-amino-3-pyridyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (R)-(2-amino-3-pyridyl)-(2,3-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) 0.90 2.76 -36.41 4 5 1 79 259.285 2 ↓
Mid Mid (pH 6-8) 0.90 2.29 -10.08 3 5 0 78 258.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-amino-3-pyridyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (S)-(2-amino-3-pyridyl)-(2,3-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) 0.90 2.72 -36.44 4 5 1 79 259.285 2 ↓
Mid Mid (pH 6-8) 0.90 2.25 -10.07 3 5 0 78 258.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-amino-3-pyridyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (S)-(4-amino-3-pyridyl)-(2,3-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) 0.54 1.81 -38.08 4 5 1 79 259.285 2 ↓
Hi High (pH 8-9.5) 0.54 1.34 -9.67 3 5 0 78 258.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-amino-3-pyridyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (R)-(4-amino-3-pyridyl)-(2,3-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) 0.54 1.84 -37.9 4 5 1 79 259.285 2 ↓
Hi High (pH 8-9.5) 0.54 1.37 -9.71 3 5 0 78 258.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(2-amino-3-pyridyl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (R)-(2-amino-3-pyridyl)-(5-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) 1.70 3.3 -37.61 4 5 1 79 293.73 2 ↓
Mid Mid (pH 6-8) 1.70 2.83 -9.72 3 5 0 78 292.722 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-amino-3-pyridyl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (S)-(2-amino-3-pyridyl)-(5-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) 1.70 3.27 -37.47 4 5 1 79 293.73 2 ↓
Mid Mid (pH 6-8) 1.70 2.79 -9.77 3 5 0 78 292.722 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-amino-3-pyridyl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (R)-(4-amino-3-pyridyl)-(5-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) 1.34 2.37 -38.3 4 5 1 79 293.73 2 ↓
Hi High (pH 8-9.5) 1.34 1.91 -9.97 3 5 0 78 292.722 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-amino-3-pyridyl)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (S)-(4-amino-3-pyridyl)-(5-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) 1.34 2.34 -38.38 4 5 1 79 293.73 2 ↓
Hi High (pH 8-9.5) 1.34 1.89 -9.88 3 5 0 78 292.722 2 ↓

Analogs

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Popular Name: (R)-(2-amino-3-pyridyl)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (R)-(2-amino-3-pyridyl)-(5-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) 1.84 3.42 -37.42 4 5 1 79 338.181 2 ↓
Mid Mid (pH 6-8) 1.84 2.95 -9.58 3 5 0 78 337.173 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-amino-3-pyridyl)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (S)-(2-amino-3-pyridyl)-(5-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) 1.84 3.4 -37.29 4 5 1 79 338.181 2 ↓
Mid Mid (pH 6-8) 1.84 2.92 -9.69 3 5 0 78 337.173 2 ↓

Analogs

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Popular Name: (R)-(4-amino-3-pyridyl)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (R)-(4-amino-3-pyridyl)-(5-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) 1.47 2.5 -38.09 4 5 1 79 338.181 2 ↓
Hi High (pH 8-9.5) 1.47 2.04 -9.8 3 5 0 78 337.173 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4-amino-3-pyridyl)-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (S)-(4-amino-3-pyridyl)-(5-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) 1.47 2.47 -38.09 4 5 1 79 338.181 2 ↓
Hi High (pH 8-9.5) 1.47 2.02 -9.76 3 5 0 78 337.173 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-pyridyl)methanamine (S)-(6-bromo-2,3-dihydro-1,4-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) 1.91 3.99 -49.03 3 4 1 59 322.182 2 ↓
Mid Mid (pH 6-8) 1.91 3.66 -7.05 2 4 0 57 321.174 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-pyridyl)methanamine (R)-(6-bromo-2,3-dihydro-1,4-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) 1.91 4.01 -48.52 3 4 1 59 322.182 2 ↓
Mid Mid (pH 6-8) 1.91 3.68 -7.19 2 4 0 57 321.174 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-3-pyridyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine (S)-(5-bromo-3-pyridyl)-(6-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) 2.73 4.53 -52.86 3 4 1 59 356.627 2 ↓
Hi High (pH 8-9.5) 2.73 4.2 -6.46 2 4 0 57 355.619 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-3-pyridyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanamine (R)-(5-bromo-3-pyridyl)-(6-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) 2.73 4.57 -52.25 3 4 1 59 356.627 2 ↓
Hi High (pH 8-9.5) 2.73 4.24 -6.32 2 4 0 57 355.619 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-pyridyl)methanamine (S)-(6-chloro-2,3-dihydro-1,4-be…

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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) 1.78 3.93 -49.47 3 4 1 59 277.731 2 ↓
Hi High (pH 8-9.5) 1.78 3.62 -7.09 2 4 0 57 276.723 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-pyridyl)methanamine (R)-(6-chloro-2,3-dihydro-1,4-be…

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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) 1.78 3.98 -49.01 3 4 1 59 277.731 2 ↓
Hi High (pH 8-9.5) 1.78 3.65 -7.25 2 4 0 57 276.723 2 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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