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

35500951
35500951

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-chlorophenyl)-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) 4.15 7.87 -39.47 2 3 1 35 369.666 3 ↓
Hi High (pH 8-9.5) 4.15 6.97 -5.07 1 3 0 30 368.658 3 ↓

Analogs

35500950
35500950

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-chlorophenyl)-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) 4.15 7.84 -33.97 2 3 1 35 369.666 3 ↓
Hi High (pH 8-9.5) 4.15 6.59 -5.47 1 3 0 30 368.658 3 ↓

Analogs

35500953
35500953
35501024
35501024
35501025
35501025
35501038
35501038
35501039
35501039

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-phenyl-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) 3.52 7.62 -40.65 2 3 1 35 335.221 3 ↓
Hi High (pH 8-9.5) 3.52 6.73 -5.1 1 3 0 30 334.213 3 ↓

Analogs

35501024
35501024
35501025
35501025
35501038
35501038
35501039
35501039
35500952
35500952

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-phenyl-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) 3.52 7.49 -40.21 2 3 1 35 335.221 3 ↓
Hi High (pH 8-9.5) 3.52 6.63 -5.16 1 3 0 30 334.213 3 ↓

Analogs

35500973
35500973

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-iodophenyl)-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) 4.58 8.71 -44.7 2 3 1 35 461.117 3 ↓
Mid Mid (pH 6-8) 4.58 7.83 -5.03 1 3 0 30 460.109 3 ↓

Analogs

35500972
35500972

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-iodophenyl)-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) 4.58 8.59 -44.26 2 3 1 35 461.117 3 ↓
Mid Mid (pH 6-8) 4.58 7.72 -4.96 1 3 0 30 460.109 3 ↓

Analogs

35500975
35500975

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-iodophenyl)-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) 4.60 8.72 -44.5 2 3 1 35 461.117 3 ↓
Mid Mid (pH 6-8) 4.60 7.84 -4.62 1 3 0 30 460.109 3 ↓

Analogs

35500974
35500974

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-iodophenyl)-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) 4.60 8.6 -44.05 2 3 1 35 461.117 3 ↓
Mid Mid (pH 6-8) 4.60 7.73 -4.57 1 3 0 30 460.109 3 ↓

Analogs

35500989
35500989

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-bromophenyl)-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) 4.31 8.23 -44.71 2 3 1 35 414.117 3 ↓
Mid Mid (pH 6-8) 4.31 7.36 -5.23 1 3 0 30 413.109 3 ↓

Analogs

35500988
35500988

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-bromophenyl)-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) 4.31 8.11 -44.36 2 3 1 35 414.117 3 ↓
Mid Mid (pH 6-8) 4.31 7.25 -5.14 1 3 0 30 413.109 3 ↓

Analogs

35500991
35500991

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-iodophenyl)-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) 4.55 8.2 -36.47 2 3 1 35 461.117 3 ↓
Hi High (pH 8-9.5) 4.55 7.53 -4.92 1 3 0 30 460.109 3 ↓

Analogs

35500990
35500990

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-iodophenyl)-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) 4.55 8.38 -32.53 2 3 1 35 461.117 3 ↓
Hi High (pH 8-9.5) 4.55 7.24 -5.2 1 3 0 30 460.109 3 ↓

Analogs

35501003
35501003

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-fluorophenyl)-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) 3.64 7.67 -34.12 2 3 1 35 353.211 3 ↓
Hi High (pH 8-9.5) 3.64 6.56 -5.51 1 3 0 30 352.203 3 ↓

Analogs

35501002
35501002

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-fluorophenyl)-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) 3.64 7.42 -35.29 2 3 1 35 353.211 3 ↓
Hi High (pH 8-9.5) 3.64 6.88 -6.26 1 3 0 30 352.203 3 ↓

Analogs

35501009
35501009

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-fluorophenyl)-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) 3.66 7.68 -45.53 2 3 1 35 353.211 3 ↓
Mid Mid (pH 6-8) 3.66 6.8 -5.85 1 3 0 30 352.203 3 ↓

Analogs

35501008
35501008

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-fluorophenyl)-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) 3.66 7.56 -45.15 2 3 1 35 353.211 3 ↓
Mid Mid (pH 6-8) 3.66 6.7 -5.82 1 3 0 30 352.203 3 ↓

Analogs

35501015
35501015

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(m-tolyl)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) 3.94 8.28 -40.72 2 3 1 35 349.248 3 ↓
Hi High (pH 8-9.5) 3.94 7.32 -5.27 1 3 0 30 348.24 3 ↓

Analogs

35501014
35501014

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(m-tolyl)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) 3.94 8.16 -40.22 2 3 1 35 349.248 3 ↓
Hi High (pH 8-9.5) 3.94 7.43 -5.17 1 3 0 30 348.24 3 ↓

Analogs

35501017
35501017

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-chlorophenyl)-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) 4.17 8.13 -44.63 2 3 1 35 369.666 3 ↓
Mid Mid (pH 6-8) 4.17 7.25 -5.29 1 3 0 30 368.658 3 ↓

Analogs

35501016
35501016

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-chlorophenyl)-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) 4.17 8 -44.16 2 3 1 35 369.666 3 ↓
Mid Mid (pH 6-8) 4.17 7.14 -5.19 1 3 0 30 368.658 3 ↓

Analogs

35501019
35501019

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-fluorophenyl)-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) 3.68 7.68 -45.29 2 3 1 35 353.211 3 ↓
Hi High (pH 8-9.5) 3.68 6.8 -5.33 1 3 0 30 352.203 3 ↓

Analogs

35501018
35501018

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-fluorophenyl)-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) 3.68 7.56 -44.9 2 3 1 35 353.211 3 ↓
Hi High (pH 8-9.5) 3.68 6.7 -5.31 1 3 0 30 352.203 3 ↓

Analogs

35501021
35501021

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-bromophenyl)-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) 4.33 8.24 -44.61 2 3 1 35 414.117 3 ↓
Mid Mid (pH 6-8) 4.33 7.36 -4.79 1 3 0 30 413.109 3 ↓

Analogs

35501020
35501020

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-bromophenyl)-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) 4.33 8.12 -44.17 2 3 1 35 414.117 3 ↓
Mid Mid (pH 6-8) 4.33 7.26 -4.77 1 3 0 30 413.109 3 ↓

Analogs

35501023
35501023

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-chlorophenyl)-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) 4.20 8.14 -44.44 2 3 1 35 369.666 3 ↓
Mid Mid (pH 6-8) 4.20 7.26 -4.83 1 3 0 30 368.658 3 ↓

Analogs

35501022
35501022

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-chlorophenyl)-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) 4.20 8.01 -44.01 2 3 1 35 369.666 3 ↓
Mid Mid (pH 6-8) 4.20 7.15 -4.82 1 3 0 30 368.658 3 ↓

Analogs

35501025
35501025
35500952
35500952
35500953
35500953

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-bromophenyl)-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) 4.28 7.95 -39.16 2 3 1 35 414.117 3 ↓
Hi High (pH 8-9.5) 4.28 7.07 -5.02 1 3 0 30 413.109 3 ↓

Analogs

35500952
35500952
35500953
35500953
35501024
35501024

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-bromophenyl)-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) 4.28 7.93 -33.45 2 3 1 35 414.117 3 ↓
Hi High (pH 8-9.5) 4.28 6.71 -5.46 1 3 0 30 413.109 3 ↓

Analogs

35501027
35501027

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(o-tolyl)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) 3.92 7.98 -39.01 2 3 1 35 349.248 3 ↓
Hi High (pH 8-9.5) 3.92 6.21 -5.1 1 3 0 30 348.24 3 ↓

Analogs

35501026
35501026

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(o-tolyl)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) 3.92 8.02 -37.89 2 3 1 35 349.248 3 ↓
Hi High (pH 8-9.5) 3.92 6.16 -4.98 1 3 0 30 348.24 3 ↓

Analogs

35501039
35501039
35500952
35500952
35500953
35500953

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Popular Name: (1S)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(p-tolyl)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) 3.97 8.29 -40.69 2 3 1 35 349.248 3 ↓
Hi High (pH 8-9.5) 3.97 7.31 -5.25 1 3 0 30 348.24 3 ↓

Analogs

35500952
35500952
35500953
35500953
35501038
35501038

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Popular Name: (1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(p-tolyl)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) 3.97 8.16 -40.23 2 3 1 35 349.248 3 ↓
Hi High (pH 8-9.5) 3.97 7.44 -5.12 1 3 0 30 348.24 3 ↓

Analogs

35501333
35501333
35501334
35501334
35501335
35501335

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Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-chlorophenyl)-N-methyl-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) 4.02 7.86 -40.24 2 3 1 35 325.215 3 ↓
Hi High (pH 8-9.5) 4.02 6.89 -5.1 1 3 0 30 324.207 3 ↓

Analogs

35501334
35501334
35501335
35501335
35501332
35501332

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Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-chlorophenyl)-N-methyl-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) 4.02 7.75 -34.18 2 3 1 35 325.215 3 ↓
Hi High (pH 8-9.5) 4.02 6.52 -5.5 1 3 0 30 324.207 3 ↓

Analogs

35501335
35501335
35501420
35501420
35501421
35501421
35501332
35501332
35501333
35501333

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Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-phenyl-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) 3.39 7.56 -40.98 2 3 1 35 290.77 3 ↓
Hi High (pH 8-9.5) 3.39 6.72 -5.09 1 3 0 30 289.762 3 ↓

Analogs

35501420
35501420
35501421
35501421
35501332
35501332
35501333
35501333
35501334
35501334

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Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-phenyl-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) 3.39 7.45 -40.5 2 3 1 35 290.77 3 ↓
Hi High (pH 8-9.5) 3.39 6.6 -5.13 1 3 0 30 289.762 3 ↓

Analogs

35501355
35501355

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Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-iodophenyl)-N-methyl-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) 4.45 8.67 -45.01 2 3 1 35 416.666 3 ↓
Hi High (pH 8-9.5) 4.45 7.81 -5.03 1 3 0 30 415.658 3 ↓

Analogs

35501354
35501354

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Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-iodophenyl)-N-methyl-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) 4.45 8.55 -44.6 2 3 1 35 416.666 3 ↓
Hi High (pH 8-9.5) 4.45 7.7 -4.99 1 3 0 30 415.658 3 ↓

Analogs

35501357
35501357

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Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-iodophenyl)-N-methyl-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) 4.47 8.67 -44.9 2 3 1 35 416.666 3 ↓
Hi High (pH 8-9.5) 4.47 7.82 -4.62 1 3 0 30 415.658 3 ↓

Analogs

35501356
35501356

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Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-iodophenyl)-N-methyl-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) 4.47 8.56 -44.42 2 3 1 35 416.666 3 ↓
Hi High (pH 8-9.5) 4.47 7.7 -4.56 1 3 0 30 415.658 3 ↓

Analogs

35501371
35501371

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

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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) 4.17 8.19 -45.04 2 3 1 35 369.666 3 ↓
Hi High (pH 8-9.5) 4.17 7.33 -5.23 1 3 0 30 368.658 3 ↓

Analogs

35501370
35501370

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

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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) 4.17 8.08 -44.65 2 3 1 35 369.666 3 ↓
Hi High (pH 8-9.5) 4.17 7.22 -5.15 1 3 0 30 368.658 3 ↓

Analogs

35501373
35501373

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Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-iodophenyl)-N-methyl-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) 4.42 8.32 -39.42 2 3 1 35 416.666 3 ↓
Hi High (pH 8-9.5) 4.42 7.44 -4.91 1 3 0 30 415.658 3 ↓

Analogs

35501372
35501372

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Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-iodophenyl)-N-methyl-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) 4.42 8.3 -32.72 2 3 1 35 416.666 3 ↓
Hi High (pH 8-9.5) 4.42 7.16 -5.23 1 3 0 30 415.658 3 ↓

Analogs

35501385
35501385

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Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-fluorophenyl)-N-methyl-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) 3.50 7.65 -34.48 2 3 1 35 308.76 3 ↓
Hi High (pH 8-9.5) 3.50 6.48 -5.57 1 3 0 30 307.752 3 ↓

Analogs

35501384
35501384

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Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-fluorophenyl)-N-methyl-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) 3.50 7.35 -35.54 2 3 1 35 308.76 3 ↓
Hi High (pH 8-9.5) 3.50 6.85 -6.26 1 3 0 30 307.752 3 ↓

Analogs

35501391
35501391

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Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-fluorophenyl)-N-methyl-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) 3.53 7.63 -45.97 2 3 1 35 308.76 3 ↓
Hi High (pH 8-9.5) 3.53 6.79 -5.93 1 3 0 30 307.752 3 ↓

Analogs

35501390
35501390

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Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(3-fluorophenyl)-N-methyl-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) 3.53 7.52 -45.49 2 3 1 35 308.76 3 ↓
Hi High (pH 8-9.5) 3.53 6.67 -5.87 1 3 0 30 307.752 3 ↓

Analogs

35501397
35501397

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Popular Name: (1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(m-tolyl)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) 3.81 8.23 -41.06 2 3 1 35 304.797 3 ↓
Hi High (pH 8-9.5) 3.81 7.26 -5.25 1 3 0 30 303.789 3 ↓

Analogs

35501396
35501396

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Popular Name: (1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(m-tolyl)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) 3.81 8.11 -40.56 2 3 1 35 304.797 3 ↓
Hi High (pH 8-9.5) 3.81 7.39 -5.18 1 3 0 30 303.789 3 ↓

Parameters Provided:

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