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Analogs

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Popular Name: N-[[2-chloro-6-(2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine N-[[2-chloro-6-(2,3-difluorophen…

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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) 4.43 9.42 -30.71 2 2 1 26 310.751 5 ↓
Hi High (pH 8-9.5) 4.43 8.13 -7.24 1 2 0 21 309.743 5 ↓

Analogs

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Popular Name: N-[[2-(2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine N-[[2-(2,3-difluorophenoxy)pheny…

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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 9.04 -34.16 2 2 1 26 276.306 5 ↓
Hi High (pH 8-9.5) 3.80 7.75 -7.37 1 2 0 21 275.298 5 ↓

Analogs

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Popular Name: N-[[2-(2,3-difluorophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2,3-difluorophenoxy)-5-fl…

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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 9.07 -36.96 2 2 1 26 294.296 5 ↓
Hi High (pH 8-9.5) 3.94 7.79 -6.98 1 2 0 21 293.288 5 ↓

Analogs

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Popular Name: N-[[2-(3,5-difluorophenoxy)phenyl]methyl]cyclopropanamine N-[[2-(3,5-difluorophenoxy)pheny…

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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 9.05 -35.82 2 2 1 26 276.306 5 ↓
Hi High (pH 8-9.5) 3.82 7.75 -2.59 1 2 0 21 275.298 5 ↓

Analogs

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Popular Name: N-[[2-(3,5-difluorophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(3,5-difluorophenoxy)-5-fl…

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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) 3.96 9.11 -38.94 2 2 1 26 294.296 5 ↓
Hi High (pH 8-9.5) 3.96 7.82 -2.66 1 2 0 21 293.288 5 ↓

Analogs

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Popular Name: N-[[2-[3-(methoxymethyl)phenoxy]phenyl]methyl]cyclopropanamine N-[[2-[3-(methoxymethyl)phenoxy]…

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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 8.57 -33.75 2 3 1 35 284.379 7 ↓
Hi High (pH 8-9.5) 3.50 7.27 -5.21 1 3 0 30 283.371 7 ↓

Analogs

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Popular Name: N-[[2-(2-bromophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2-bromophenoxy)-5-fluoro-…

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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 9.55 -32.88 2 2 1 26 337.212 5 ↓

Analogs

43476294
43476294

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Popular Name: N-[[2-(3-ethylphenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(3-ethylphenoxy)-5-fluoro-…

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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 10.34 -35.21 2 2 1 26 286.37 6 ↓
Hi High (pH 8-9.5) 4.60 9.05 -3.1 1 2 0 21 285.362 6 ↓

Analogs

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Popular Name: N-[[2-(4-chloro-3-methyl-phenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(4-chloro-3-methyl-phenoxy…

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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) 4.76 10 -37.66 2 2 1 26 306.788 5 ↓

Analogs

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Popular Name: N-[[2-(2,3-dichlorophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2,3-dichlorophenoxy)-5-fl…

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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) 4.97 9.92 -35.14 2 2 1 26 327.206 5 ↓
Hi High (pH 8-9.5) 4.97 8.64 -4.94 1 2 0 21 326.198 5 ↓

Analogs

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Popular Name: N-[[5-fluoro-2-(4-methylphenoxy)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(4-methylphenoxy)…

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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 9.58 -35.38 2 2 1 26 272.343 5 ↓
Hi High (pH 8-9.5) 4.16 8.3 -3.2 1 2 0 21 271.335 5 ↓

Analogs

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Popular Name: N-[[2-(2,4-difluorophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2,4-difluorophenoxy)-5-fl…

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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) 3.96 9.11 -36.09 2 2 1 26 294.296 5 ↓
Hi High (pH 8-9.5) 3.96 7.82 -4.22 1 2 0 21 293.288 5 ↓

Analogs

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Popular Name: N-[[2-(2-bromo-4-fluoro-phenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2-bromo-4-fluoro-phenoxy)…

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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) 4.61 9.66 -34.93 2 2 1 26 355.202 5 ↓

Analogs

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Popular Name: N-[[2-(2,6-dimethylphenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2,6-dimethylphenoxy)-5-fl…

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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) 4.51 10.26 -36.23 2 2 1 26 286.37 5 ↓
Hi High (pH 8-9.5) 4.51 8.97 -3.25 1 2 0 21 285.362 5 ↓

Analogs

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Popular Name: N-[[2-(2,5-dichlorophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2,5-dichlorophenoxy)-5-fl…

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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) 4.99 10.02 -34.33 2 2 1 26 327.206 5 ↓
Hi High (pH 8-9.5) 4.99 8.74 -3.34 1 2 0 21 326.198 5 ↓

Analogs

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Popular Name: N-[[2-(2,4-dimethylphenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2,4-dimethylphenoxy)-5-fl…

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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 10.27 -34.19 2 2 1 26 286.37 5 ↓
Hi High (pH 8-9.5) 4.53 8.98 -3.04 1 2 0 21 285.362 5 ↓

Analogs

43476294
43476294

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Popular Name: N-[[2-(2,3-dimethylphenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2,3-dimethylphenoxy)-5-fl…

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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) 4.51 10.21 -36.18 2 2 1 26 286.37 5 ↓
Hi High (pH 8-9.5) 4.51 8.92 -3.26 1 2 0 21 285.362 5 ↓

Analogs

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Popular Name: N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(3-methoxyphenoxy…

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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) 3.74 8.2 -36.34 2 3 1 35 288.342 6 ↓
Hi High (pH 8-9.5) 3.74 6.92 -4.83 1 3 0 30 287.334 6 ↓

Analogs

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Popular Name: N-[[2-(4-ethylphenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(4-ethylphenoxy)-5-fluoro-…

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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) 4.62 10.35 -35.29 2 2 1 26 286.37 6 ↓
Hi High (pH 8-9.5) 4.62 9.06 -2.94 1 2 0 21 285.362 6 ↓

Analogs

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Popular Name: N-[[5-fluoro-2-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(2-fluorophenoxy)…

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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 9.01 -34.21 2 2 1 26 276.306 5 ↓
Hi High (pH 8-9.5) 3.82 7.73 -5.42 1 2 0 21 275.298 5 ↓

Analogs

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Popular Name: N-[[2-(4-bromophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(4-bromophenoxy)-5-fluoro-…

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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) 4.52 9.53 -37.8 2 2 1 26 337.212 5 ↓
Hi High (pH 8-9.5) 4.52 8.25 -2.68 1 2 0 21 336.204 5 ↓

Analogs

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Popular Name: N-[[2-(2-chlorophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2-chlorophenoxy)-5-fluoro…

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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) 4.34 9.45 -33.35 2 2 1 26 292.761 5 ↓
Hi High (pH 8-9.5) 4.34 8.17 -4.48 1 2 0 21 291.753 5 ↓

Analogs

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Popular Name: N-[[2-(4-chlorophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(4-chlorophenoxy)-5-fluoro…

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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) 4.39 9.42 -37.68 2 2 1 26 292.761 5 ↓

Analogs

43476294
43476294

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Popular Name: N-[[2-(2,5-dimethylphenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2,5-dimethylphenoxy)-5-fl…

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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 10.31 -36.01 2 2 1 26 286.37 5 ↓
Hi High (pH 8-9.5) 4.53 9.03 -3.23 1 2 0 21 285.362 5 ↓

Analogs

43476294
43476294

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Popular Name: N-[[2-(3,4-dimethylphenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(3,4-dimethylphenoxy)-5-fl…

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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 10.12 -35.24 2 2 1 26 286.37 5 ↓
Hi High (pH 8-9.5) 4.53 8.84 -3.33 1 2 0 21 285.362 5 ↓

Analogs

43476294
43476294

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(3,5-dimethylphenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(3,5-dimethylphenoxy)-5-fl…

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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 10.24 -35.31 2 2 1 26 286.37 5 ↓
Hi High (pH 8-9.5) 4.53 8.95 -3.26 1 2 0 21 285.362 5 ↓

Analogs

43476292
43476292
43476294
43476294

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Popular Name: N-[[5-fluoro-2-(3-methylphenoxy)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(3-methylphenoxy)…

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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 9.57 -35.25 2 2 1 26 272.343 5 ↓
Hi High (pH 8-9.5) 4.13 8.29 -3.28 1 2 0 21 271.335 5 ↓

Analogs

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Popular Name: N-[[5-fluoro-2-(2-methylphenoxy)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(2-methylphenoxy)…

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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) 4.11 9.6 -34.15 2 2 1 26 272.343 5 ↓
Hi High (pH 8-9.5) 4.11 8.31 -3.12 1 2 0 21 271.335 5 ↓

Analogs

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Popular Name: N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(4-fluorophenoxy)…

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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) 3.87 8.97 -38.41 2 2 1 26 276.306 5 ↓
Hi High (pH 8-9.5) 3.87 7.69 -3.14 1 2 0 21 275.298 5 ↓

Analogs

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Popular Name: N-[(5-fluoro-2-phenoxy-phenyl)methyl]cyclopropanamine N-[(5-fluoro-2-phenoxy-phenyl)me…

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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 8.9 -35.32 2 2 1 26 258.316 5 ↓

Analogs

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Popular Name: N-[[2-(3-bromophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(3-bromophenoxy)-5-fluoro-…

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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) 4.49 9.53 -37.43 2 2 1 26 337.212 5 ↓
Hi High (pH 8-9.5) 4.49 8.25 -3.23 1 2 0 21 336.204 5 ↓

Analogs

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Popular Name: N-[[2-(3-chlorophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(3-chlorophenoxy)-5-fluoro…

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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) 4.36 9.42 -37.41 2 2 1 26 292.761 5 ↓
Hi High (pH 8-9.5) 4.36 8.14 -3.3 1 2 0 21 291.753 5 ↓

Analogs

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Popular Name: N-[[2-(2,4-dichlorophenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2,4-dichlorophenoxy)-5-fl…

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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) 4.99 10.01 -34.93 2 2 1 26 327.206 5 ↓
Hi High (pH 8-9.5) 4.99 8.72 -3.32 1 2 0 21 326.198 5 ↓

Analogs

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Popular Name: N-[[5-fluoro-2-(2-methoxyphenoxy)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(2-methoxyphenoxy…

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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 8.81 -34.1 2 3 1 35 288.342 6 ↓
Hi High (pH 8-9.5) 3.52 7.52 -5.3 1 3 0 30 287.334 6 ↓

Analogs

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Popular Name: N-[[5-fluoro-2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(3-fluorophenoxy)…

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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) 3.85 8.97 -38.12 2 2 1 26 276.306 5 ↓
Hi High (pH 8-9.5) 3.85 7.69 -3.79 1 2 0 21 275.298 5 ↓

Analogs

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Popular Name: N-[[5-fluoro-2-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(4-methoxyphenoxy…

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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) 3.76 8.19 -37.6 2 3 1 35 288.342 6 ↓
Hi High (pH 8-9.5) 3.76 6.9 -3.96 1 3 0 30 287.334 6 ↓

Analogs

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Popular Name: N-[[2-(4-chloro-2-methyl-phenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(4-chloro-2-methyl-phenoxy…

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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) 4.76 10.12 -36.38 2 2 1 26 306.788 5 ↓

Analogs

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Popular Name: N-[[2-(2-bromo-4-chloro-phenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2-bromo-4-chloro-phenoxy)…

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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) 5.12 10.1 -34.38 2 2 1 26 371.657 5 ↓

Analogs

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Popular Name: N-[[2-(2-bromo-4-methyl-phenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2-bromo-4-methyl-phenoxy)…

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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) 4.89 10.22 -32.74 2 2 1 26 351.239 5 ↓

Analogs

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Popular Name: N-[[2-(4-bromo-2-chloro-phenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(4-bromo-2-chloro-phenoxy)…

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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) 5.12 10.12 -35 2 2 1 26 371.657 5 ↓
Hi High (pH 8-9.5) 5.12 8.82 -3.21 1 2 0 21 370.649 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(4-bromo-2-fluoro-phenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(4-bromo-2-fluoro-phenoxy)…

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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) 4.61 9.66 -35.72 2 2 1 26 355.202 5 ↓
Hi High (pH 8-9.5) 4.61 8.38 -3.83 1 2 0 21 354.194 5 ↓

Analogs

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Popular Name: N-[[5-fluoro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(4-iodophenoxy)ph…

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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) 4.79 10.01 -37.64 2 2 1 26 384.212 5 ↓
Hi High (pH 8-9.5) 4.79 8.72 -2.5 1 2 0 21 383.204 5 ↓

Analogs

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Popular Name: N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]cyclopropanamine N-[[5-fluoro-2-(3-iodophenoxy)ph…

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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) 4.77 10.01 -37.35 2 2 1 26 384.212 5 ↓
Hi High (pH 8-9.5) 4.77 8.72 -3.1 1 2 0 21 383.204 5 ↓

Analogs

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Popular Name: N-[[2-(2-ethylphenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2-ethylphenoxy)-5-fluoro-…

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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) 4.57 10.37 -34.35 2 2 1 26 286.37 6 ↓
Hi High (pH 8-9.5) 4.57 9.04 -2.92 1 2 0 21 285.362 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-chloro-5-methyl-phenoxy)-5-fluoro-phenyl]methyl]cyclopropanamine N-[[2-(2-chloro-5-methyl-phenoxy…

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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) 4.76 10.13 -33.14 2 2 1 26 306.788 5 ↓
Hi High (pH 8-9.5) 4.76 8.84 -4.05 1 2 0 21 305.78 5 ↓

Parameters Provided:

ring.id = 261096
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 261096 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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