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Analogs

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Popular Name: 1-benzyl-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-benzyl-2,3,4,5-tetrahydro-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) 2.81 8.52 -42.08 2 2 1 20 239.342 2 ↓
Hi High (pH 8-9.5) 2.81 7.27 -3.86 1 2 0 15 238.334 2 ↓

Analogs

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Popular Name: 1-(p-tolylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(p-tolylmethyl)-2,3,4,5-tetrah…

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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) 3.26 9.19 -42.04 2 2 1 20 253.369 2 ↓
Hi High (pH 8-9.5) 3.26 7.94 -3.88 1 2 0 15 252.361 2 ↓

Analogs

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Popular Name: 1-(o-tolylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(o-tolylmethyl)-2,3,4,5-tetrah…

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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) 3.21 9.55 -42.66 2 2 1 20 253.369 2 ↓
Hi High (pH 8-9.5) 3.21 8.3 -3.59 1 2 0 15 252.361 2 ↓

Analogs

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Popular Name: 1-(m-tolylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-(m-tolylmethyl)-2,3,4,5-tetrah…

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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) 3.23 9.18 -42.03 2 2 1 20 253.369 2 ↓
Hi High (pH 8-9.5) 3.23 7.93 -3.94 1 2 0 15 252.361 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-phenylethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-phenylethyl]-2,3,4,5-t…

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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) 3.37 9.14 -40.19 2 2 1 20 253.369 2 ↓
Hi High (pH 8-9.5) 3.37 7.88 -2.96 1 2 0 15 252.361 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-phenylethyl]-2,3,4,5-t…

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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) 3.37 8.45 -37.1 2 2 1 20 253.369 2 ↓
Hi High (pH 8-9.5) 3.37 7.19 -3.44 1 2 0 15 252.361 2 ↓

Analogs

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Popular Name: (3R)-1-benzyl-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine (3R)-1-benzyl-3-methyl-2,3,4,5-t…

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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) 3.14 9.18 -33.56 2 2 1 20 253.369 2 ↓
Hi High (pH 8-9.5) 3.14 7.98 -3.34 1 2 0 15 252.361 2 ↓

Analogs

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Popular Name: 1-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(2-fluorophenyl)methyl]-2,3,4…

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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) 2.93 8.39 -34.16 2 2 1 20 257.332 2 ↓
Hi High (pH 8-9.5) 2.93 7.11 -3.64 1 2 0 15 256.324 2 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(4-fluorophenyl)methyl]-2,3,4…

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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) 2.97 8.59 -39.22 2 2 1 20 257.332 2 ↓
Hi High (pH 8-9.5) 2.97 7.33 -4.35 1 2 0 15 256.324 2 ↓

Analogs

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Popular Name: 1-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(3-chlorophenyl)methyl]-2,3,4…

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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) 3.46 9.05 -36.53 2 2 1 20 273.787 2 ↓
Hi High (pH 8-9.5) 3.46 7.78 -3.26 1 2 0 15 272.779 2 ↓

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(4-chlorophenyl)methyl]-2,3,4…

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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) 3.49 9.05 -38.43 2 2 1 20 273.787 2 ↓
Hi High (pH 8-9.5) 3.49 7.78 -3.65 1 2 0 15 272.779 2 ↓

Analogs

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Popular Name: 1-[(2-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(2-chlorophenyl)methyl]-2,3,4…

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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) 3.44 8.55 -33.58 2 2 1 20 273.787 2 ↓
Hi High (pH 8-9.5) 3.44 7.27 -3.14 1 2 0 15 272.779 2 ↓

Analogs

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Popular Name: 2-[(1S)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]benzene-1,4-diol 2-[(1S)-1-(2,3,4,5-tetrahydro-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 3.54 -42.99 4 4 1 60 285.367 2 ↓
Hi High (pH 8-9.5) 2.81 2.29 -5.9 3 4 0 56 284.359 2 ↓

Analogs

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Popular Name: 2-[(1R)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]benzene-1,4-diol 2-[(1R)-1-(2,3,4,5-tetrahydro-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 2.77 -40.07 4 4 1 60 285.367 2 ↓
Hi High (pH 8-9.5) 2.81 1.52 -6.21 3 4 0 56 284.359 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,5-difluorophenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(2,5-difluorophenyl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 9.3 -40.88 2 2 1 20 289.349 2 ↓
Hi High (pH 8-9.5) 3.62 8.05 -3.23 1 2 0 15 288.341 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,5-difluorophenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(2,5-difluorophenyl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.62 8.64 -37.85 2 2 1 20 289.349 2 ↓
Hi High (pH 8-9.5) 3.62 7.38 -3.77 1 2 0 15 288.341 2 ↓

Analogs

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Popular Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(3-bromo-4-fluoro-phenyl)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) 3.71 9.19 -39.19 2 2 1 20 336.228 2 ↓
Hi High (pH 8-9.5) 3.71 7.93 -4.36 1 2 0 15 335.22 2 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]phenol 4-[(1S)-1-(2,3,4,5-tetrahydro-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 6.29 -43.4 3 3 1 40 269.368 2 ↓
Hi High (pH 8-9.5) 2.89 5.03 -4.66 2 3 0 35 268.36 2 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]phenol 4-[(1R)-1-(2,3,4,5-tetrahydro-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 5.6 -38.61 3 3 1 40 269.368 2 ↓
Hi High (pH 8-9.5) 2.89 4.34 -5.33 2 3 0 35 268.36 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(o-tolyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(o-tolyl)ethyl]-2,3,4,…

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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) 3.77 8.94 -37.41 2 2 1 20 267.396 2 ↓
Hi High (pH 8-9.5) 3.77 7.68 -3.68 1 2 0 15 266.388 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(o-tolyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(o-tolyl)ethyl]-2,3,4,…

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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) 3.77 9.7 -40.98 2 2 1 20 267.396 2 ↓
Hi High (pH 8-9.5) 3.77 8.44 -3.05 1 2 0 15 266.388 2 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]benzonitrile 4-[(1S)-1-(2,3,4,5-tetrahydro-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 9.5 -46.73 2 3 1 44 278.379 2 ↓
Hi High (pH 8-9.5) 3.12 8.25 -5.8 1 3 0 39 277.371 2 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]benzonitrile 4-[(1R)-1-(2,3,4,5-tetrahydro-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 8.83 -44.24 2 3 1 44 278.379 2 ↓
Hi High (pH 8-9.5) 3.12 7.58 -6.27 1 3 0 39 277.371 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(p-tolyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(p-tolyl)ethyl]-2,3,4,…

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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) 3.82 9.13 -36.97 2 2 1 20 267.396 2 ↓
Hi High (pH 8-9.5) 3.82 7.87 -3.5 1 2 0 15 266.388 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(p-tolyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(p-tolyl)ethyl]-2,3,4,…

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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) 3.82 9.81 -40.19 2 2 1 20 267.396 2 ↓
Hi High (pH 8-9.5) 3.82 8.55 -3.03 1 2 0 15 266.388 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-fluorophenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(2-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.49 9.23 -39.93 2 2 1 20 271.359 2 ↓
Hi High (pH 8-9.5) 3.49 7.98 -3.44 1 2 0 15 270.351 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-fluorophenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(2-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.49 8.58 -34.72 2 2 1 20 271.359 2 ↓
Hi High (pH 8-9.5) 3.49 7.31 -4 1 2 0 15 270.351 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(2,4-dimethylphenyl)et…

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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 9.57 -37.38 2 2 1 20 281.423 2 ↓
Hi High (pH 8-9.5) 4.20 8.34 -3.82 1 2 0 15 280.415 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(2,4-dimethylphenyl)et…

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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 10.37 -40.91 2 2 1 20 281.423 2 ↓
Hi High (pH 8-9.5) 4.20 9.11 -3.11 1 2 0 15 280.415 2 ↓

Analogs

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Popular Name: 2-methoxy-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)phenol 2-methoxy-6-(2,3,4,5-tetrahydro-…

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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) 2.36 5.88 -43.12 3 4 1 49 285.367 3 ↓
Hi High (pH 8-9.5) 2.36 4.64 -5.94 2 4 0 45 284.359 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(4-fluorophenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(4-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.53 9.21 -43.09 2 2 1 20 271.359 2 ↓
Hi High (pH 8-9.5) 3.53 7.95 -3.57 1 2 0 15 270.351 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(4-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.53 8.52 -39.62 2 2 1 20 271.359 2 ↓
Hi High (pH 8-9.5) 3.53 7.26 -4.27 1 2 0 15 270.351 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(2-bromophenyl)ethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.13 9.68 -39.44 2 2 1 20 332.265 2 ↓
Hi High (pH 8-9.5) 4.13 8.42 -2.81 1 2 0 15 331.257 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(2-bromophenyl)ethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.13 8.9 -37.03 2 2 1 20 332.265 2 ↓
Hi High (pH 8-9.5) 4.13 7.65 -2.94 1 2 0 15 331.257 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-chlorophenyl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(3-chlorophenyl)propyl…

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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) 4.53 9.96 -41.69 2 2 1 20 301.841 3 ↓
Hi High (pH 8-9.5) 4.53 8.7 -2.35 1 2 0 15 300.833 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(3-chlorophenyl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(3-chlorophenyl)propyl…

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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) 4.53 9.92 -38.32 2 2 1 20 301.841 3 ↓
Hi High (pH 8-9.5) 4.53 8.64 -2.71 1 2 0 15 300.833 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(4-methoxyphenyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 8.44 -42.49 2 3 1 29 283.395 3 ↓
Hi High (pH 8-9.5) 3.43 7.18 -4.49 1 3 0 24 282.387 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(4-methoxyphenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(4-methoxyphenyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 7.75 -38.9 2 3 1 29 283.395 3 ↓
Hi High (pH 8-9.5) 3.43 6.49 -5.1 1 3 0 24 282.387 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(3-bromophenyl)ethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 9.76 -41.08 2 2 1 20 332.265 2 ↓
Hi High (pH 8-9.5) 4.16 8.5 -2.58 1 2 0 15 331.257 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(3-bromophenyl)ethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 9.08 -37.96 2 2 1 20 332.265 2 ↓
Hi High (pH 8-9.5) 4.16 7.81 -2.92 1 2 0 15 331.257 2 ↓

Analogs

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Popular Name: 4-[(1S)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]benzene-1,3-diol 4-[(1S)-1-(2,3,4,5-tetrahydro-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 3.55 -43.03 4 4 1 60 285.367 2 ↓
Hi High (pH 8-9.5) 2.81 2.3 -5.62 3 4 0 56 284.359 2 ↓

Analogs

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Popular Name: 4-[(1R)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]benzene-1,3-diol 4-[(1R)-1-(2,3,4,5-tetrahydro-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 2.79 -41.51 4 4 1 60 285.367 2 ↓
Hi High (pH 8-9.5) 2.81 1.53 -5.99 3 4 0 56 284.359 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-methoxyphenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(3-methoxyphenyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 8.44 -41.23 2 3 1 29 283.395 3 ↓
Hi High (pH 8-9.5) 3.40 7.18 -4.09 1 3 0 24 282.387 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(3-methoxyphenyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(3-methoxyphenyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 7.74 -37.86 2 3 1 29 283.395 3 ↓
Hi High (pH 8-9.5) 3.40 6.48 -4.42 1 3 0 24 282.387 3 ↓

Analogs

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Popular Name: 2,4-dichloro-6-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)phenol 2,4-dichloro-6-(2,3,4,5-tetrahyd…

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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 6.93 -36.01 3 3 1 40 324.231 2 ↓
Hi High (pH 8-9.5) 3.80 6.42 -31.7 1 3 -1 38 322.215 2 ↓
Mid Mid (pH 6-8) 3.80 7.7 -29.78 2 3 0 43 323.223 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-(4-chlorophenyl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(4-chlorophenyl)propyl…

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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 9.97 -42.64 2 2 1 20 301.841 3 ↓
Hi High (pH 8-9.5) 4.55 8.71 -2.63 1 2 0 15 300.833 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(4-chlorophenyl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(4-chlorophenyl)propyl…

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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 9.93 -39.3 2 2 1 20 301.841 3 ↓
Hi High (pH 8-9.5) 4.55 8.65 -3.17 1 2 0 15 300.833 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(p-tolyl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1S)-1-(p-tolyl)propyl]-2,3,4…

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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) 4.32 10.13 -40.76 2 2 1 20 281.423 3 ↓
Hi High (pH 8-9.5) 4.32 8.87 -2.69 1 2 0 15 280.415 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(p-tolyl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1R)-1-(p-tolyl)propyl]-2,3,4…

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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) 4.32 10.07 -37.4 2 2 1 20 281.423 3 ↓
Hi High (pH 8-9.5) 4.32 8.81 -3.19 1 2 0 15 280.415 3 ↓

Analogs

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Popular Name: 4-chloro-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)phenol 4-chloro-2-(2,3,4,5-tetrahydro-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 6.38 -36.51 3 3 1 40 289.786 2 ↓
Hi High (pH 8-9.5) 3.40 5.11 -5.07 2 3 0 35 288.778 2 ↓
Hi High (pH 8-9.5) 3.40 7.15 -31.76 2 3 0 43 288.778 2 ↓

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