UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[1-[[3-methoxypropyl(methyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine N-[[1-[[3-methoxypropyl(methyl)a…

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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 8.31 -106.6 3 3 2 30 270.461 9 ↓
Mid Mid (pH 6-8) 2.74 6.83 -35.61 2 3 1 29 269.453 9 ↓

Analogs

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Popular Name: (1S,2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexanol (1S,2S)-2-[[cyclopropyl(2,2,2-tr…

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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) 2.77 4.41 -4.05 1 2 0 23 251.292 5 ↓
Mid Mid (pH 6-8) 2.77 6.03 -34.95 2 2 1 25 252.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexanol (1R,2S)-2-[[cyclopropyl(2,2,2-tr…

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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) 2.77 4.96 -3.23 1 2 0 23 251.292 5 ↓
Mid Mid (pH 6-8) 2.77 6.27 -32.09 2 2 1 25 252.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexanol (1S,2R)-2-[[cyclopropyl(2,2,2-tr…

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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) 2.77 4.14 -3.07 1 2 0 23 251.292 5 ↓
Mid Mid (pH 6-8) 2.77 5.88 -32.63 2 2 1 25 252.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexanol (1R,2R)-2-[[cyclopropyl(2,2,2-tr…

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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) 2.77 4.27 -4.1 1 2 0 23 251.292 5 ↓
Mid Mid (pH 6-8) 2.77 6.02 -35.01 2 2 1 25 252.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[cyclopropyl(2,2,2…

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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) 2.78 4.8 -4.05 1 2 0 23 265.319 5 ↓
Mid Mid (pH 6-8) 2.78 6.59 -35.5 2 2 1 25 266.327 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4S)-2-[[cyclopropyl(2,2,2…

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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) 2.78 4.57 -4.17 1 2 0 23 265.319 5 ↓
Mid Mid (pH 6-8) 2.78 6.37 -35.49 2 2 1 25 266.327 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4R)-2-[[cyclopropyl(2,2,2…

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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) 2.78 6.1 -2.15 1 2 0 23 265.319 5 ↓
Mid Mid (pH 6-8) 2.78 7.15 -30.91 2 2 1 25 266.327 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4S)-2-[[cyclopropyl(2,2,2…

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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) 2.78 5.88 -2.1 1 2 0 23 265.319 5 ↓
Mid Mid (pH 6-8) 2.78 6.93 -30.94 2 2 1 25 266.327 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2S,4R)-2-[[cyclopropyl(2,2,2…

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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 5.54 -3.31 1 2 0 23 279.346 6 ↓
Mid Mid (pH 6-8) 3.46 7.29 -35.57 2 2 1 25 280.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2S,4S)-2-[[cyclopropyl(2,2,2…

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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 6.41 -2.03 1 2 0 23 279.346 6 ↓
Mid Mid (pH 6-8) 3.46 7.53 -30.71 2 2 1 25 280.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethyl-cyclohexanol (1R,2S,4R)-2-[[cyclopropyl(2,2,2…

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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 6.75 -2.1 1 2 0 23 279.346 6 ↓
Mid Mid (pH 6-8) 3.46 7.8 -31.02 2 2 1 25 280.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethyl-cyclohexanol (1R,2S,4S)-2-[[cyclopropyl(2,2,2…

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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 5.14 -2.9 1 2 0 23 279.346 6 ↓
Mid Mid (pH 6-8) 3.46 6.94 -36.64 2 2 1 25 280.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[[cyclopropyl(2,2,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 6.21 -4.04 1 2 0 23 293.373 7 ↓
Mid Mid (pH 6-8) 4.02 8.01 -35.64 2 2 1 25 294.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4S)-2-[[cyclopropyl(2,2,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 7.16 -2 1 2 0 23 293.373 7 ↓
Mid Mid (pH 6-8) 4.02 8.28 -30.82 2 2 1 25 294.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[[cyclopropyl(2,2,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 5.88 -3.08 1 2 0 23 293.373 7 ↓
Mid Mid (pH 6-8) 4.02 8.41 -32.48 2 2 1 25 294.381 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propyl-cyclohexanol (1R,2S,4S)-2-[[cyclopropyl(2,2,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 5.9 -2.86 1 2 0 23 293.373 7 ↓
Mid Mid (pH 6-8) 4.02 7.69 -36.79 2 2 1 25 294.381 7 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[[cycl…

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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 6.2 -3.67 1 2 0 23 307.4 6 ↓
Mid Mid (pH 6-8) 4.11 7.98 -36.05 2 2 1 25 308.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexanol (1S,2S,4S)-4-tert-butyl-2-[[cycl…

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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 7.15 -1.98 1 2 0 23 307.4 6 ↓
Mid Mid (pH 6-8) 4.11 8.26 -31.2 2 2 1 25 308.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexanol (1R,2S,4R)-4-tert-butyl-2-[[cycl…

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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 5.86 -2.98 1 2 0 23 307.4 6 ↓
Mid Mid (pH 6-8) 4.11 8.38 -33.17 2 2 1 25 308.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexanol (1R,2S,4S)-4-tert-butyl-2-[[cycl…

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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 5.79 -2.65 1 2 0 23 307.4 6 ↓
Mid Mid (pH 6-8) 4.11 7.43 -39.4 2 2 1 25 308.408 6 ↓

Analogs

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Popular Name: (1S,2S)-2-[[butyl(cyclopropyl)amino]methyl]cyclohexanol (1S,2S)-2-[[butyl(cyclopropyl)am…

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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) 3.28 7 -30.72 2 2 1 25 226.384 6 ↓

Analogs

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Popular Name: (1S,2R)-2-[[butyl(cyclopropyl)amino]methyl]cyclohexanol (1S,2R)-2-[[butyl(cyclopropyl)am…

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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) 3.28 7.1 -29.52 2 2 1 25 226.384 6 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-[[butyl(cyclopropyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[butyl(cyclopropyl…

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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) 3.29 7.82 -30.87 2 2 1 25 240.411 6 ↓

Analogs

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Popular Name: (1S,2R,4R)-2-[[butyl(cyclopropyl)amino]methyl]-4-methyl-cyclohexanol (1S,2R,4R)-2-[[butyl(cyclopropyl…

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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) 3.29 7.21 -30.68 2 2 1 25 240.411 6 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2S,4R)-2-[[butyl(cyclopropyl…

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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) 3.98 8.51 -31.06 2 2 1 25 254.438 7 ↓

Analogs

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Popular Name: (1S,2R,4R)-2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2R,4R)-2-[[butyl(cyclopropyl…

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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) 3.98 8.68 -27.97 2 2 1 25 254.438 7 ↓

Analogs

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Popular Name: (1S,2S)-2-[[cyclopropyl(isobutyl)amino]methyl]cyclohexanol (1S,2S)-2-[[cyclopropyl(isobutyl…

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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 6.86 -29.03 2 2 1 25 226.384 5 ↓

Analogs

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Popular Name: (1S,2R)-2-[[cyclopropyl(isobutyl)amino]methyl]cyclohexanol (1S,2R)-2-[[cyclopropyl(isobutyl…

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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 6.98 -28.35 2 2 1 25 226.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclopropyl(isobutyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[cyclopropyl(isobu…

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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) 2.98 7.73 -29.95 2 2 1 25 240.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclopropyl(isobutyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4S)-2-[[cyclopropyl(isobu…

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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) 2.98 7.5 -30.01 2 2 1 25 240.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclopropyl(isobutyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4R)-2-[[cyclopropyl(isobu…

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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) 2.98 8.19 -26.93 2 2 1 25 240.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclopropyl(isobutyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4S)-2-[[cyclopropyl(isobu…

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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) 2.98 7.92 -27 2 2 1 25 240.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclopropyl(isobutyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2S,4R)-2-[[cyclopropyl(isobu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 8.39 -29.76 2 2 1 25 254.438 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclopropyl(isobutyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2S,4S)-2-[[cyclopropyl(isobu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 8.65 -26.41 2 2 1 25 254.438 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclopropyl(isobutyl)amino]methyl]-4-ethyl-cyclohexanol (1R,2S,4R)-2-[[cyclopropyl(isobu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 8.99 -26.76 2 2 1 25 254.438 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclopropyl(isobutyl)amino]methyl]-4-ethyl-cyclohexanol (1R,2S,4S)-2-[[cyclopropyl(isobu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 8.03 -32.38 2 2 1 25 254.438 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]cyclohexanol (1S,2S)-2-[[cyclopropyl(2-methox…

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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) 1.83 4.87 -29.25 2 3 1 34 228.356 6 ↓
Hi High (pH 8-9.5) 1.83 3.02 -2.62 1 3 0 33 227.348 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]cyclohexanol (1S,2R)-2-[[cyclopropyl(2-methox…

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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) 1.83 4.7 -27.96 2 3 1 34 228.356 6 ↓
Hi High (pH 8-9.5) 1.83 2.81 -3.27 1 3 0 33 227.348 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[cyclopropyl(2-met…

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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) 1.84 5.47 -29.75 2 3 1 34 242.383 6 ↓
Hi High (pH 8-9.5) 1.84 3.59 -3.64 1 3 0 33 241.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-methyl-cyclohexanol (1S,2S,4S)-2-[[cyclopropyl(2-met…

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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) 1.84 4.84 -29.02 2 3 1 34 242.383 6 ↓
Hi High (pH 8-9.5) 1.84 3.37 -3.6 1 3 0 33 241.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4R)-2-[[cyclopropyl(2-met…

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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) 1.84 5.89 -27.17 2 3 1 34 242.383 6 ↓
Hi High (pH 8-9.5) 1.84 3.39 -3.07 1 3 0 33 241.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-methyl-cyclohexanol (1R,2S,4S)-2-[[cyclopropyl(2-met…

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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) 1.84 5.81 -27.08 2 3 1 34 242.383 6 ↓
Hi High (pH 8-9.5) 1.84 4.5 -2.2 1 3 0 33 241.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2S,4R)-2-[[cyclopropyl(2-met…

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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) 2.52 6.13 -29.52 2 3 1 34 256.41 7 ↓
Hi High (pH 8-9.5) 2.52 4.24 -2.53 1 3 0 33 255.402 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1S,2S,4S)-2-[[cyclopropyl(2-met…

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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) 2.52 6.26 -26.81 2 3 1 34 256.41 7 ↓
Hi High (pH 8-9.5) 2.52 3.78 -2.94 1 3 0 33 255.402 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1R,2S,4R)-2-[[cyclopropyl(2-met…

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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) 2.52 6.69 -27.22 2 3 1 34 256.41 7 ↓
Hi High (pH 8-9.5) 2.52 5.38 -2.26 1 3 0 33 255.402 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-ethyl-cyclohexanol (1R,2S,4S)-2-[[cyclopropyl(2-met…

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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) 2.52 5.77 -32.52 2 3 1 34 256.41 7 ↓
Hi High (pH 8-9.5) 2.52 3.91 -3.37 1 3 0 33 255.402 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[[cyclopropyl(2-met…

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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 6.89 -29.52 2 3 1 34 270.437 8 ↓
Hi High (pH 8-9.5) 3.08 5 -2.52 1 3 0 33 269.429 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4S)-2-[[cyclopropyl(2-met…

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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 7.16 -26.75 2 3 1 34 270.437 8 ↓
Hi High (pH 8-9.5) 3.08 5.84 -2.07 1 3 0 33 269.429 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[[cyclopropyl(2-met…

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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 7.44 -27.21 2 3 1 34 270.437 8 ↓
Hi High (pH 8-9.5) 3.08 6.13 -2.22 1 3 0 33 269.429 8 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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