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Analogs

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Popular Name: (5-fluoro-2-methyl-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (5-fluoro-2-methyl-phenyl)-(2,3,…

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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) 2.99 7.98 -44.55 2 3 1 37 285.342 1 ↓
Hi High (pH 8-9.5) 2.99 6.73 -7.38 1 3 0 32 284.334 1 ↓

Analogs

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Popular Name: (4-bromo-2-hydroxy-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-bromo-2-hydroxy-phenyl)-(2,3,…

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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) 3.72 5.87 -48.92 3 4 1 57 348.22 1 ↓
Hi High (pH 8-9.5) 3.72 5.49 -52.87 1 4 -1 55 346.204 1 ↓
Hi High (pH 8-9.5) 3.72 4.59 -8.87 2 4 0 53 347.212 1 ↓

Analogs

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Popular Name: (4-bromo-3-fluoro-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-bromo-3-fluoro-phenyl)-(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) 3.35 7.88 -49.47 2 3 1 37 350.211 1 ↓
Hi High (pH 8-9.5) 3.35 6.62 -6.94 1 3 0 32 349.203 1 ↓

Analogs

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Popular Name: (4-bromo-2-methyl-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-bromo-2-methyl-phenyl)-(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) 3.63 8.54 -46.22 2 3 1 37 346.248 1 ↓
Hi High (pH 8-9.5) 3.63 7.29 -6.19 1 3 0 32 345.24 1 ↓

Analogs

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Popular Name: (4-bromo-2-chloro-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-bromo-2-chloro-phenyl)-(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) 3.86 8.41 -48.3 2 3 1 37 366.666 1 ↓
Hi High (pH 8-9.5) 3.86 7.15 -6.94 1 3 0 32 365.658 1 ↓

Analogs

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Popular Name: (2,3-difluorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2,3-difluorophenyl)-(2,3,4,5-te…

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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) 2.68 7.37 -53.54 2 3 1 37 289.305 1 ↓
Hi High (pH 8-9.5) 2.68 6.1 -12.47 1 3 0 32 288.297 1 ↓

Analogs

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Popular Name: (2-fluoro-5-methyl-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2-fluoro-5-methyl-phenyl)-(2,3,…

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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) 2.99 8 -49.68 2 3 1 37 285.342 1 ↓
Hi High (pH 8-9.5) 2.99 6.74 -11.44 1 3 0 32 284.334 1 ↓

Analogs

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Popular Name: (2,3-dichlorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2,3-dichlorophenyl)-(2,3,4,5-te…

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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) 3.70 8.25 -50.22 2 3 1 37 322.215 1 ↓
Hi High (pH 8-9.5) 3.70 6.99 -9.42 1 3 0 32 321.207 1 ↓

Analogs

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Popular Name: (2,6-difluorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2,6-difluorophenyl)-(2,3,4,5-te…

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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) 2.68 7.55 -45.99 2 3 1 37 289.305 1 ↓
Hi High (pH 8-9.5) 2.68 6.28 -12.75 1 3 0 32 288.297 1 ↓

Analogs

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Popular Name: (2,5-dichlorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2,5-dichlorophenyl)-(2,3,4,5-te…

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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) 3.73 8.3 -45.77 2 3 1 37 322.215 1 ↓
Hi High (pH 8-9.5) 3.73 7.04 -7.32 1 3 0 32 321.207 1 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3,4-dimethylphenyl)-(2,3,4,5-te…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 8.45 -45.99 2 3 1 37 281.379 1 ↓
Hi High (pH 8-9.5) 3.27 7.2 -8.71 1 3 0 32 280.371 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-difluorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3,5-difluorophenyl)-(2,3,4,5-te…

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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) 2.70 7.35 -46.52 2 3 1 37 289.305 1 ↓
Hi High (pH 8-9.5) 2.70 6.1 -5.9 1 3 0 32 288.297 1 ↓

Analogs

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Popular Name: (3-chloro-4-hydroxy-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3-chloro-4-hydroxy-phenyl)-(2,3…

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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) 2.83 4.93 -49.78 3 4 1 57 303.769 1 ↓
Hi High (pH 8-9.5) 2.83 4.44 -41.95 1 4 -1 55 301.753 1 ↓
Hi High (pH 8-9.5) 2.83 5.7 -70.82 2 4 0 60 302.761 1 ↓

Analogs

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Popular Name: (2-chloro-6-fluoro-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2-chloro-6-fluoro-phenyl)-(2,3,…

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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) 3.19 7.87 -44.82 2 3 1 37 305.76 1 ↓
Hi High (pH 8-9.5) 3.19 6.61 -11.57 1 3 0 32 304.752 1 ↓

Analogs

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Popular Name: (5-bromo-2-chloro-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (5-bromo-2-chloro-phenyl)-(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) 3.86 8.41 -45.67 2 3 1 37 366.666 1 ↓
Hi High (pH 8-9.5) 3.86 7.15 -7.2 1 3 0 32 365.658 1 ↓

Analogs

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Popular Name: 4-(2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carbonyl)benzonitrile 4-(2,3,4,5-tetrahydro-1,4-benzod…

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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) 2.20 7.61 -49.96 2 4 1 61 278.335 1 ↓
Hi High (pH 8-9.5) 2.20 6.35 -8.47 1 4 0 56 277.327 1 ↓

Analogs

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Popular Name: (2,6-dichlorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2,6-dichlorophenyl)-(2,3,4,5-te…

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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) 3.70 8.14 -44.2 2 3 1 37 322.215 1 ↓
Hi High (pH 8-9.5) 3.70 6.88 -10.04 1 3 0 32 321.207 1 ↓

Analogs

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Popular Name: (2-hydroxy-5-methyl-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2-hydroxy-5-methyl-phenyl)-(2,3…

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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) 3.36 5.89 -48.44 3 4 1 57 283.351 1 ↓
Hi High (pH 8-9.5) 3.36 4.61 -11.03 2 4 0 53 282.343 1 ↓

Analogs

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Popular Name: 3-(2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carbonyl)benzonitrile 3-(2,3,4,5-tetrahydro-1,4-benzod…

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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) 2.18 7.61 -51.95 2 4 1 61 278.335 1 ↓
Hi High (pH 8-9.5) 2.18 6.35 -10.59 1 4 0 56 277.327 1 ↓

Analogs

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Popular Name: (3,4-difluorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3,4-difluorophenyl)-(2,3,4,5-te…

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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) 2.70 7.33 -50.33 2 3 1 37 289.305 1 ↓
Hi High (pH 8-9.5) 2.70 6.08 -7.43 1 3 0 32 288.297 1 ↓

Analogs

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Popular Name: (4-chloro-2-fluoro-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-chloro-2-fluoro-phenyl)-(2,3,…

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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 7.84 -49.69 2 3 1 37 305.76 1 ↓
Hi High (pH 8-9.5) 3.21 6.57 -8.67 1 3 0 32 304.752 1 ↓

Analogs

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Popular Name: (5-chloro-2-fluoro-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (5-chloro-2-fluoro-phenyl)-(2,3,…

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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 7.84 -47.1 2 3 1 37 305.76 1 ↓
Hi High (pH 8-9.5) 3.21 6.57 -8.98 1 3 0 32 304.752 1 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2,5-dimethylphenyl)-(2,3,4,5-te…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 8.64 -45.71 2 3 1 37 281.379 1 ↓
Hi High (pH 8-9.5) 3.27 7.4 -8.04 1 3 0 32 280.371 1 ↓

Analogs

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Popular Name: (4-ethylphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-ethylphenyl)-(2,3,4,5-tetrahy…

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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) 3.36 8.67 -45.77 2 3 1 37 281.379 2 ↓
Hi High (pH 8-9.5) 3.36 7.42 -8.12 1 3 0 32 280.371 2 ↓

Analogs

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Popular Name: (4-iodophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-iodophenyl)-(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) 3.53 8.33 -46.23 2 3 1 37 379.221 1 ↓
Hi High (pH 8-9.5) 3.53 7.07 -6.31 1 3 0 32 378.213 1 ↓

Analogs

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Popular Name: (3-iodophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3-iodophenyl)-(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) 3.50 8.32 -47.71 2 3 1 37 379.221 1 ↓
Hi High (pH 8-9.5) 3.50 7.06 -7.82 1 3 0 32 378.213 1 ↓

Analogs

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Popular Name: (2-chlorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2-chlorophenyl)-(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) 3.08 7.79 -47.85 2 3 1 37 287.77 1 ↓
Hi High (pH 8-9.5) 3.08 6.53 -9.45 1 3 0 32 286.762 1 ↓

Analogs

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Popular Name: (2-hydroxy-4-methyl-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2-hydroxy-4-methyl-phenyl)-(2,3…

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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) 3.36 5.88 -47.87 3 4 1 57 283.351 1 ↓
Hi High (pH 8-9.5) 3.36 4.63 -9.61 2 4 0 53 282.343 1 ↓

Analogs

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Popular Name: (2,5-difluorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2,5-difluorophenyl)-(2,3,4,5-te…

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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) 2.70 7.39 -47.26 2 3 1 37 289.305 1 ↓
Hi High (pH 8-9.5) 2.70 6.12 -9.21 1 3 0 32 288.297 1 ↓

Analogs

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Popular Name: (4-chloro-2-hydroxy-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-chloro-2-hydroxy-phenyl)-(2,3…

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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) 3.59 5.76 -48.89 3 4 1 57 303.769 1 ↓
Hi High (pH 8-9.5) 3.59 4.48 -9 2 4 0 53 302.761 1 ↓

Analogs

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Popular Name: (2-hydroxy-3-methyl-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2-hydroxy-3-methyl-phenyl)-(2,3…

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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) 3.13 5.95 -48.12 3 4 1 57 283.351 1 ↓
Hi High (pH 8-9.5) 3.13 4.7 -10.88 2 4 0 53 282.343 1 ↓

Analogs

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Popular Name: (5-chloro-2-hydroxy-phenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (5-chloro-2-hydroxy-phenyl)-(2,3…

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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) 3.59 5.76 -46.58 3 4 1 57 303.769 1 ↓
Hi High (pH 8-9.5) 3.59 4.49 -9.36 2 4 0 53 302.761 1 ↓

Analogs

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Popular Name: (4-hydroxyphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-hydroxyphenyl)-(2,3,4,5-tetra…

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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) 1.97 4.38 -47.86 3 4 1 57 269.324 1 ↓
Hi High (pH 8-9.5) 1.97 3.12 -8.79 2 4 0 53 268.316 1 ↓

Analogs

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Popular Name: (2,4-dihydroxyphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2,4-dihydroxyphenyl)-(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) 2.43 2.41 -50.2 4 5 1 77 285.323 1 ↓
Hi High (pH 8-9.5) 2.43 1.13 -11.06 3 5 0 73 284.315 1 ↓

Analogs

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Popular Name: (2-bromophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2-bromophenyl)-(2,3,4,5-tetrahy…

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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 7.91 -47.64 2 3 1 37 332.221 1 ↓
Hi High (pH 8-9.5) 3.21 6.64 -9.08 1 3 0 32 331.213 1 ↓

Analogs

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Popular Name: (4-bromophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-bromophenyl)-(2,3,4,5-tetrahy…

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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) 3.25 7.83 -46.48 2 3 1 37 332.221 1 ↓
Hi High (pH 8-9.5) 3.25 6.59 -6.51 1 3 0 32 331.213 1 ↓

Analogs

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Popular Name: (4-chlorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-chlorophenyl)-(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) 3.12 7.73 -46.42 2 3 1 37 287.77 1 ↓
Hi High (pH 8-9.5) 3.12 6.49 -6.62 1 3 0 32 286.762 1 ↓

Analogs

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Popular Name: (2-hydroxyphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2-hydroxyphenyl)-(2,3,4,5-tetra…

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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 5.24 -48.28 3 4 1 57 269.324 1 ↓
Hi High (pH 8-9.5) 2.93 3.96 -11.04 2 4 0 53 268.316 1 ↓

Analogs

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Popular Name: (2-methoxyphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2-methoxyphenyl)-(2,3,4,5-tetra…

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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) 3.00 7.29 -48.19 2 4 1 46 283.351 2 ↓
Hi High (pH 8-9.5) 3.00 6.04 -11.77 1 4 0 42 282.343 2 ↓

Analogs

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Popular Name: (3-chlorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3-chlorophenyl)-(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) 3.10 7.74 -47.89 2 3 1 37 287.77 1 ↓
Hi High (pH 8-9.5) 3.10 6.48 -8.09 1 3 0 32 286.762 1 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (4-methoxyphenyl)-(2,3,4,5-tetra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 6.52 -46.59 2 4 1 46 283.351 2 ↓
Hi High (pH 8-9.5) 2.50 5.28 -8.77 1 4 0 42 282.343 2 ↓

Analogs

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Popular Name: (2-fluorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2-fluorophenyl)-(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) 2.56 7.32 -49.66 2 3 1 37 271.315 1 ↓
Hi High (pH 8-9.5) 2.56 6.05 -11.53 1 3 0 32 270.307 1 ↓

Analogs

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Popular Name: (3,4-dichlorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3,4-dichlorophenyl)-(2,3,4,5-te…

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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) 3.73 8.18 -48.63 2 3 1 37 322.215 1 ↓
Hi High (pH 8-9.5) 3.73 6.93 -6.67 1 3 0 32 321.207 1 ↓

Analogs

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Popular Name: p-tolyl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone p-tolyl(2,3,4,5-tetrahydro-1,4-b…

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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 7.9 -45.93 2 3 1 37 267.352 1 ↓
Hi High (pH 8-9.5) 2.89 6.66 -8.4 1 3 0 32 266.344 1 ↓

Analogs

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Popular Name: (2-iodophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (2-iodophenyl)-(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) 3.48 8.36 -46.98 2 3 1 37 379.221 1 ↓
Hi High (pH 8-9.5) 3.48 7.09 -8.18 1 3 0 32 378.213 1 ↓

Analogs

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Popular Name: (3-methoxyphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3-methoxyphenyl)-(2,3,4,5-tetra…

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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) 2.48 6.52 -48.85 2 4 1 46 283.351 2 ↓
Hi High (pH 8-9.5) 2.48 5.28 -10.43 1 4 0 42 282.343 2 ↓

Analogs

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Popular Name: o-tolyl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone o-tolyl(2,3,4,5-tetrahydro-1,4-b…

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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) 2.85 7.91 -45.44 2 3 1 37 267.352 1 ↓
Hi High (pH 8-9.5) 2.85 6.66 -8.06 1 3 0 32 266.344 1 ↓

Analogs

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Popular Name: (3,5-dichlorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3,5-dichlorophenyl)-(2,3,4,5-te…

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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) 3.73 8.24 -45.83 2 3 1 37 322.215 1 ↓
Hi High (pH 8-9.5) 3.73 6.98 -5.7 1 3 0 32 321.207 1 ↓

Analogs

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Popular Name: (3,5-dimethylphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3,5-dimethylphenyl)-(2,3,4,5-te…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 8.54 -46.2 2 3 1 37 281.379 1 ↓
Hi High (pH 8-9.5) 3.27 7.3 -8.78 1 3 0 32 280.371 1 ↓

Analogs

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Popular Name: (3-fluorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone (3-fluorophenyl)-(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) 2.58 7.3 -48.89 2 3 1 37 271.315 1 ↓
Hi High (pH 8-9.5) 2.58 6.04 -8.7 1 3 0 32 270.307 1 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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