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Analogs

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Popular Name: N-methyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-methyl-N-[[3-(methylaminomethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 4.86 -93.9 3 4 2 47 197.282 5 ↓
Hi High (pH 8-9.5) 0.63 3.41 -37.45 2 4 1 42 196.274 5 ↓

Analogs

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Popular Name: N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]-N-methyl-cyclopropanamine N-[[3-(ethylaminomethyl)isoxazol…

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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) 1.00 5.72 -93.81 3 4 2 47 211.309 6 ↓
Hi High (pH 8-9.5) 1.00 4.34 -37.31 2 4 1 42 210.301 6 ↓

Analogs

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Popular Name: N-methyl-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-methyl-N-[[3-(propylaminomethy…

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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) 1.51 6.47 -95.17 3 4 2 47 225.336 7 ↓

Analogs

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Popular Name: N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-cyclopropanamine N-[[3-[(isopropylamino)methyl]is…

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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) 1.30 6.24 -92.15 3 4 2 47 225.336 6 ↓
Hi High (pH 8-9.5) 1.30 5.02 -37.01 2 4 1 42 224.328 6 ↓

Analogs

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Popular Name: N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-cyclopropanamine N-[[3-[(tert-butylamino)methyl]i…

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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) 1.81 6.67 -91.2 3 4 2 47 239.363 6 ↓
Hi High (pH 8-9.5) 1.81 5.43 -37.06 2 4 1 42 238.355 6 ↓

Analogs

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Popular Name: N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-cyclopropanamine N-[[3-[(isobutylamino)methyl]iso…

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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) 1.75 7.17 -95.97 3 4 2 47 239.363 7 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-methyl-cyclopropanamine N-[[3-(aminomethyl)isoxazol-5-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.25 2.99 -98.87 4 4 2 58 183.255 4 ↓
Hi High (pH 8-9.5) 0.25 2.59 -37.55 3 4 1 56 182.247 4 ↓

Analogs

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Popular Name: N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]-N-propyl-cyclopropanamine N-[[3-(methylaminomethyl)isoxazo…

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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) 1.51 6.38 -93.01 3 4 2 47 225.336 7 ↓
Hi High (pH 8-9.5) 1.51 4.93 -38.7 2 4 1 42 224.328 7 ↓

Analogs

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Popular Name: N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]-N-propyl-cyclopropanamine N-[[3-(ethylaminomethyl)isoxazol…

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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) 1.88 7.24 -92.92 3 4 2 47 239.363 8 ↓
Hi High (pH 8-9.5) 1.88 5.86 -38.59 2 4 1 42 238.355 8 ↓

Analogs

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Popular Name: N-propyl-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-propyl-N-[[3-(propylaminomethy…

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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) 2.38 8 -94.34 3 4 2 47 253.39 9 ↓

Analogs

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Popular Name: N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]-N-propyl-cyclopropanamine N-[[3-[(isopropylamino)methyl]is…

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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 7.76 -91.39 3 4 2 47 253.39 8 ↓
Hi High (pH 8-9.5) 2.18 6.55 -38.63 2 4 1 42 252.382 8 ↓

Analogs

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Popular Name: N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-propyl-cyclopropanamine N-[[3-[(tert-butylamino)methyl]i…

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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) 2.69 8.18 -90.48 3 4 2 47 267.417 8 ↓
Hi High (pH 8-9.5) 2.69 6.95 -38.3 2 4 1 42 266.409 8 ↓

Analogs

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Popular Name: N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]-N-propyl-cyclopropanamine N-[[3-[(isobutylamino)methyl]iso…

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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) 2.63 8.69 -94.78 3 4 2 47 267.417 9 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-propyl-cyclopropanamine N-[[3-(aminomethyl)isoxazol-5-yl…

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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) 1.13 4.51 -98.06 4 4 2 58 211.309 6 ↓
Hi High (pH 8-9.5) 1.13 4.11 -38.95 3 4 1 56 210.301 6 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-ethyl-N-[[3-(methylaminomethyl…

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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) 1.00 5.64 -91.74 3 4 2 47 211.309 6 ↓
Hi High (pH 8-9.5) 1.00 4.19 -38.16 2 4 1 42 210.301 6 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-ethyl-N-[[3-(ethylaminomethyl)…

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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) 1.38 6.46 -92.03 3 4 2 47 225.336 7 ↓
Hi High (pH 8-9.5) 1.38 5.08 -36.26 2 4 1 42 224.328 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-ethyl-N-[[3-(propylaminomethyl…

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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) 1.88 7.21 -93.43 3 4 2 47 239.363 8 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]cyclopropanamine N-ethyl-N-[[3-[(isopropylamino)m…

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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) 1.68 7.02 -90.95 3 4 2 47 239.363 7 ↓
Hi High (pH 8-9.5) 1.68 5.83 -37.84 2 4 1 42 238.355 7 ↓

Analogs

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Popular Name: N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-ethyl-cyclopropanamine N-[[3-[(tert-butylamino)methyl]i…

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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) 2.19 7.43 -89.17 3 4 2 47 253.39 7 ↓
Hi High (pH 8-9.5) 2.19 6.21 -37.75 2 4 1 42 252.382 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]cyclopropanamine N-ethyl-N-[[3-[(isobutylamino)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) 2.13 7.94 -93.43 3 4 2 47 253.39 8 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-ethyl-cyclopropanamine N-[[3-(aminomethyl)isoxazol-5-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 3.73 -97.14 4 4 2 58 197.282 5 ↓
Hi High (pH 8-9.5) 0.63 3.32 -36.52 3 4 1 56 196.274 5 ↓

Analogs

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Popular Name: N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[3-(methylaminomethyl)isoxazo…

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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) 1.55 5.97 -94.09 3 4 2 47 265.279 7 ↓
Mid Mid (pH 6-8) 1.55 3.93 -40.89 2 4 1 46 264.271 7 ↓

Analogs

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Popular Name: N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[3-(ethylaminomethyl)isoxazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 6.83 -94.05 3 4 2 47 279.306 8 ↓
Mid Mid (pH 6-8) 1.93 4.79 -39.93 2 4 1 46 278.298 8 ↓

Analogs

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Popular Name: N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[3-(propylaminomethyl)isoxazo…

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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 7.58 -95.44 3 4 2 47 293.333 9 ↓
Mid Mid (pH 6-8) 2.43 5.54 -40.8 2 4 1 46 292.325 9 ↓

Analogs

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Popular Name: N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[3-[(isopropylamino)methyl]is…

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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) 2.23 7.34 -92.51 3 4 2 47 293.333 8 ↓
Mid Mid (pH 6-8) 2.23 5.31 -38.47 2 4 1 46 292.325 8 ↓

Analogs

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Popular Name: N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[3-[(tert-butylamino)methyl]i…

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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) 2.74 7.76 -91.52 3 4 2 47 307.36 8 ↓
Mid Mid (pH 6-8) 2.74 5.74 -36.26 2 4 1 46 306.352 8 ↓

Analogs

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Popular Name: N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[3-[(isobutylamino)methyl]iso…

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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 8.27 -95.85 3 4 2 47 307.36 9 ↓
Mid Mid (pH 6-8) 2.68 6.24 -40.65 2 4 1 46 306.352 9 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[3-(aminomethyl)isoxazol-5-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 4.09 -99.15 4 4 2 58 251.252 6 ↓
Hi High (pH 8-9.5) 1.18 1.65 -6.99 2 4 0 55 249.236 6 ↓
Mid Mid (pH 6-8) 1.18 2.06 -46.39 3 4 1 57 250.244 6 ↓

Analogs

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Popular Name: N-butyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-butyl-N-[[3-(methylaminomethyl…

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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) 2.07 7.17 -94.02 3 4 2 47 239.363 8 ↓
Hi High (pH 8-9.5) 2.07 5.71 -39.48 2 4 1 42 238.355 8 ↓

Analogs

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Popular Name: N-butyl-N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-butyl-N-[[3-(ethylaminomethyl)…

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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) 2.44 8.02 -93.95 3 4 2 47 253.39 9 ↓
Hi High (pH 8-9.5) 2.44 6.65 -39.29 2 4 1 42 252.382 9 ↓

Analogs

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Popular Name: N-butyl-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-butyl-N-[[3-(propylaminomethyl…

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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) 2.94 8.78 -95.26 3 4 2 47 267.417 10 ↓

Analogs

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Popular Name: N-butyl-N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]cyclopropanamine N-butyl-N-[[3-[(isopropylamino)m…

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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) 2.74 8.54 -92.36 3 4 2 47 267.417 9 ↓
Hi High (pH 8-9.5) 2.74 7.33 -39.31 2 4 1 42 266.409 9 ↓

Analogs

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Popular Name: N-butyl-N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]cyclopropanamine N-butyl-N-[[3-[(tert-butylamino)…

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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 8.95 -91.45 3 4 2 47 281.444 9 ↓
Hi High (pH 8-9.5) 3.25 7.73 -39.04 2 4 1 42 280.436 9 ↓

Analogs

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Popular Name: N-butyl-N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]cyclopropanamine N-butyl-N-[[3-[(isobutylamino)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) 3.19 9.47 -96.11 3 4 2 47 281.444 10 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-butyl-cyclopropanamine N-[[3-(aminomethyl)isoxazol-5-yl…

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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) 1.69 5.29 -98.98 4 4 2 58 225.336 7 ↓
Hi High (pH 8-9.5) 1.69 4.89 -39.67 3 4 1 56 224.328 7 ↓

Analogs

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Popular Name: N-isobutyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-isobutyl-N-[[3-(methylaminomet…

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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) 1.75 7.06 -92.76 3 4 2 47 239.363 7 ↓
Hi High (pH 8-9.5) 1.75 5.61 -37.98 2 4 1 42 238.355 7 ↓

Analogs

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Popular Name: N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]-N-isobutyl-cyclopropanamine N-[[3-(ethylaminomethyl)isoxazol…

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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) 2.13 7.57 -94.07 3 4 2 47 253.39 8 ↓
Hi High (pH 8-9.5) 2.13 6.54 -36.01 2 4 1 42 252.382 8 ↓

Analogs

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Popular Name: N-isobutyl-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-isobutyl-N-[[3-(propylaminomet…

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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) 2.63 8.32 -95.6 3 4 2 47 267.417 9 ↓

Analogs

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Popular Name: N-isobutyl-N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]cyclopropanamine N-isobutyl-N-[[3-[(isopropylamin…

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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) 2.42 8.07 -92.54 3 4 2 47 267.417 8 ↓
Hi High (pH 8-9.5) 2.42 6.85 -38.87 2 4 1 42 266.409 8 ↓

Analogs

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Popular Name: N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-isobutyl-cyclopropanamine N-[[3-[(tert-butylamino)methyl]i…

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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) 2.94 8.49 -91.68 3 4 2 47 281.444 8 ↓
Hi High (pH 8-9.5) 2.94 7.26 -38.62 2 4 1 42 280.436 8 ↓

Analogs

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Popular Name: N-isobutyl-N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]cyclopropanamine N-isobutyl-N-[[3-[(isobutylamino…

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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) 2.87 9.37 -94.9 3 4 2 47 281.444 9 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-isobutyl-cyclopropanamine N-[[3-(aminomethyl)isoxazol-5-yl…

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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) 1.38 5.19 -97.8 4 4 2 58 225.336 6 ↓
Hi High (pH 8-9.5) 1.38 4.41 -37.09 3 4 1 56 224.328 6 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-(2-methoxyethyl)-N-[[3-(methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.61 4.8 -90.9 3 5 2 56 241.335 8 ↓
Mid Mid (pH 6-8) 0.61 2.98 -42.49 2 5 1 55 240.327 8 ↓

Analogs

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Popular Name: N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine N-[[3-(ethylaminomethyl)isoxazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 5.66 -90.76 3 5 2 56 255.362 9 ↓
Mid Mid (pH 6-8) 0.99 3.84 -41.65 2 5 1 55 254.354 9 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]cyclopropanamine N-(2-methoxyethyl)-N-[[3-(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) 1.49 6.41 -92.2 3 5 2 56 269.389 10 ↓
Mid Mid (pH 6-8) 1.49 4.59 -42.43 2 5 1 55 268.381 10 ↓

Analogs

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Popular Name: N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine N-[[3-[(isopropylamino)methyl]is…

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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) 1.28 6.17 -89.16 3 5 2 56 269.389 9 ↓
Mid Mid (pH 6-8) 1.28 4.36 -39.47 2 5 1 55 268.381 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine N-[[3-[(tert-butylamino)methyl]i…

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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) 1.80 6.61 -88.21 3 5 2 56 283.416 9 ↓
Mid Mid (pH 6-8) 1.80 4.78 -37.9 2 5 1 55 282.408 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine N-[[3-[(isobutylamino)methyl]iso…

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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) 1.74 7.11 -92.47 3 5 2 56 283.416 10 ↓
Mid Mid (pH 6-8) 1.74 5.28 -42.26 2 5 1 55 282.408 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine N-[[3-(aminomethyl)isoxazol-5-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.24 2.92 -96.1 4 5 2 67 227.308 7 ↓
Hi High (pH 8-9.5) 0.24 0.67 -6.44 2 5 0 65 225.292 7 ↓
Mid Mid (pH 6-8) 0.24 1.07 -47.96 3 5 1 66 226.3 7 ↓

Analogs

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Popular Name: N-[(1S)-1,2-dimethylpropyl]-N-[(3-methylisoxazol-5-yl)methyl]cyclopropanamine N-[(1S)-1,2-dimethylpropyl]-N-[(…

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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 7.72 -34.71 1 3 1 30 223.34 5 ↓

Parameters Provided:

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