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Analogs

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Popular Name: 4-nitro-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazole 4-nitro-1-[[(3S)-tetrahydrofuran…

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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) 0.76 4.07 -10.96 0 6 0 73 197.194 3 ↓

Analogs

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Popular Name: 4-nitro-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazole 4-nitro-1-[[(3R)-tetrahydrofuran…

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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) 0.76 3.99 -10.48 0 6 0 73 197.194 3 ↓

Analogs

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Popular Name: 1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-amine 1-[[(3S)-tetrahydrofuran-3-yl]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) 0.28 1.2 -7.18 2 4 0 53 167.212 2 ↓

Analogs

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Popular Name: 1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-amine 1-[[(3R)-tetrahydrofuran-3-yl]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) 0.28 1.16 -6.91 2 4 0 53 167.212 2 ↓

Analogs

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Popular Name: 1-[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanone 1-[3,5-dimethyl-1-[[(3S)-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) 1.14 4.92 -11.13 0 4 0 44 222.288 3 ↓

Analogs

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Popular Name: 1-[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanone 1-[3,5-dimethyl-1-[[(3R)-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) 1.14 4.62 -9.95 0 4 0 44 222.288 3 ↓

Analogs

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Popular Name: 1-[1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanone 1-[1-[[(3S)-tetrahydrofuran-3-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) 0.70 3.84 -9.66 0 4 0 44 194.234 3 ↓

Analogs

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Popular Name: 1-[1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanone 1-[1-[[(3R)-tetrahydrofuran-3-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) 0.70 3.74 -9.82 0 4 0 44 194.234 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazole-4-carbaldehyde 3,5-dimethyl-1-[[(3S)-tetrahydro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 4.11 -13.11 0 4 0 44 208.261 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazole-4-carbaldehyde 3,5-dimethyl-1-[[(3R)-tetrahydro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 3.81 -11.73 0 4 0 44 208.261 3 ↓

Analogs

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Popular Name: 1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazole-4-carbaldehyde 1-[[(3S)-tetrahydrofuran-3-yl]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) 0.59 3.13 -13.79 0 4 0 44 180.207 3 ↓

Analogs

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Popular Name: 1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazole-4-carbaldehyde 1-[[(3R)-tetrahydrofuran-3-yl]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) 0.59 3.02 -13.38 0 4 0 44 180.207 3 ↓

Analogs

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Popular Name: 1-[1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-one 1-[1-[[(3S)-tetrahydrofuran-3-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) 1.20 4.74 -9.52 0 4 0 44 208.261 4 ↓

Analogs

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Popular Name: 1-[1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-one 1-[1-[[(3R)-tetrahydrofuran-3-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) 1.20 4.64 -9.69 0 4 0 44 208.261 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-one 1-[3,5-dimethyl-1-[[(3S)-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) 1.65 5.78 -11.06 0 4 0 44 236.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-one 1-[3,5-dimethyl-1-[[(3R)-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) 1.65 5.73 -11.69 0 4 0 44 236.315 4 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methanamine [3,5-dimethyl-1-[[(3S)-tetrahydr…

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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) 0.43 2.27 -49.14 3 4 1 55 210.301 3 ↓
Hi High (pH 8-9.5) 0.43 1.87 -8.5 2 4 0 53 209.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methanamine [3,5-dimethyl-1-[[(3R)-tetrahydr…

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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) 0.43 1.96 -47.25 3 4 1 55 210.301 3 ↓
Hi High (pH 8-9.5) 0.43 1.56 -7.55 2 4 0 53 209.293 3 ↓

Analogs

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Popular Name: (1R)-1-[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanamine (1R)-1-[3,5-dimethyl-1-[[(3S)-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) -0.89 3.03 -45.83 3 4 1 55 224.328 3 ↓
Hi High (pH 8-9.5) -0.89 2.7 -8.29 2 4 0 53 223.32 3 ↓

Analogs

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Popular Name: (1R)-1-[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanamine (1R)-1-[3,5-dimethyl-1-[[(3R)-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) -0.89 2.73 -44.54 3 4 1 55 224.328 3 ↓
Hi High (pH 8-9.5) -0.89 2.4 -7.72 2 4 0 53 223.32 3 ↓

Analogs

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Popular Name: (1S)-1-[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanamine (1S)-1-[3,5-dimethyl-1-[[(3S)-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) -0.89 2.95 -48.85 3 4 1 55 224.328 3 ↓
Hi High (pH 8-9.5) -0.89 2.94 -7.97 2 4 0 53 223.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanamine (1S)-1-[3,5-dimethyl-1-[[(3R)-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) -0.89 2.67 -46.33 3 4 1 55 224.328 3 ↓
Hi High (pH 8-9.5) -0.89 2.65 -7.04 2 4 0 53 223.32 3 ↓

Analogs

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Popular Name: (1S)-1-[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-amine (1S)-1-[3,5-dimethyl-1-[[(3S)-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) -0.39 3.86 -45.3 3 4 1 55 238.355 4 ↓
Hi High (pH 8-9.5) -0.39 3.51 -8.2 2 4 0 53 237.347 4 ↓
Lo Low (pH 4.5-6) -0.39 3.94 -101.33 4 4 2 56 239.363 4 ↓

Analogs

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Popular Name: (1R)-1-[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-amine (1R)-1-[3,5-dimethyl-1-[[(3S)-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) -0.39 3.97 -45.37 3 4 1 55 238.355 4 ↓
Hi High (pH 8-9.5) -0.39 3.67 -7.27 2 4 0 53 237.347 4 ↓
Lo Low (pH 4.5-6) -0.39 4.05 -101.2 4 4 2 56 239.363 4 ↓

Analogs

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Popular Name: (1S)-1-[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-amine (1S)-1-[3,5-dimethyl-1-[[(3R)-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) -0.39 3.84 -45.02 3 4 1 55 238.355 4 ↓
Hi High (pH 8-9.5) -0.39 3.49 -8.41 2 4 0 53 237.347 4 ↓
Lo Low (pH 4.5-6) -0.39 3.62 -101.87 4 4 2 56 239.363 4 ↓

Analogs

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Popular Name: (1R)-1-[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-amine (1R)-1-[3,5-dimethyl-1-[[(3R)-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) -0.39 3.93 -45.66 3 4 1 55 238.355 4 ↓
Hi High (pH 8-9.5) -0.39 3.62 -7.45 2 4 0 53 237.347 4 ↓
Lo Low (pH 4.5-6) -0.39 3.71 -101.4 4 4 2 56 239.363 4 ↓

Analogs

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Popular Name: [1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methanamine [1-[[(3S)-tetrahydrofuran-3-yl]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) -0.01 1.42 -48.45 3 4 1 55 182.247 3 ↓
Hi High (pH 8-9.5) -0.01 1.02 -6.83 2 4 0 53 181.239 3 ↓

Analogs

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Popular Name: [1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methanamine [1-[[(3R)-tetrahydrofuran-3-yl]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) -0.01 1.32 -47.21 3 4 1 55 182.247 3 ↓
Hi High (pH 8-9.5) -0.01 0.91 -6.83 2 4 0 53 181.239 3 ↓

Analogs

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Popular Name: (1S)-1-[1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanamine (1S)-1-[1-[[(3S)-tetrahydrofuran…

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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) -1.33 2.08 -46.17 3 4 1 55 196.274 3 ↓
Hi High (pH 8-9.5) -1.33 1.75 -6.71 2 4 0 53 195.266 3 ↓

Analogs

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Popular Name: (1R)-1-[1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanamine (1R)-1-[1-[[(3S)-tetrahydrofuran…

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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) -1.33 2.08 -46.3 3 4 1 55 196.274 3 ↓
Hi High (pH 8-9.5) -1.33 1.75 -7.28 2 4 0 53 195.266 3 ↓

Analogs

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Popular Name: (1S)-1-[1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanamine (1S)-1-[1-[[(3R)-tetrahydrofuran…

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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) -1.33 1.98 -45.9 3 4 1 55 196.274 3 ↓
Hi High (pH 8-9.5) -1.33 1.65 -6.53 2 4 0 53 195.266 3 ↓

Analogs

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Popular Name: (1R)-1-[1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]ethanamine (1R)-1-[1-[[(3R)-tetrahydrofuran…

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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) -1.33 1.99 -45.4 3 4 1 55 196.274 3 ↓
Hi High (pH 8-9.5) -1.33 1.65 -7.2 2 4 0 53 195.266 3 ↓

Analogs

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Popular Name: (1S)-1-[1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-amine (1S)-1-[1-[[(3S)-tetrahydrofuran…

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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) -0.83 2.89 -45.69 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) -0.83 2.58 -6.48 2 4 0 53 209.293 4 ↓

Analogs

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Popular Name: (1R)-1-[1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-amine (1R)-1-[1-[[(3S)-tetrahydrofuran…

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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) -0.83 2.89 -45.84 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) -0.83 2.55 -7.04 2 4 0 53 209.293 4 ↓

Analogs

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Popular Name: (1S)-1-[1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-amine (1S)-1-[1-[[(3R)-tetrahydrofuran…

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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) -0.83 2.79 -45.48 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) -0.83 2.48 -6.36 2 4 0 53 209.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]propan-1-amine (1R)-1-[1-[[(3R)-tetrahydrofuran…

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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) -0.83 2.79 -44.93 3 4 1 55 210.301 4 ↓
Hi High (pH 8-9.5) -0.83 2.45 -6.96 2 4 0 53 209.293 4 ↓

Analogs

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Popular Name: 1-[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]-N-methyl-methanamine 1-[3,5-dimethyl-1-[[(3S)-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) 0.80 4.14 -43.8 2 4 1 44 224.328 4 ↓
Hi High (pH 8-9.5) 0.80 2.69 -7.35 1 4 0 39 223.32 4 ↓

Analogs

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Popular Name: 1-[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]-N-methyl-methanamine 1-[3,5-dimethyl-1-[[(3R)-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) 0.80 3.84 -41.98 2 4 1 44 224.328 4 ↓
Hi High (pH 8-9.5) 0.80 2.38 -6.78 1 4 0 39 223.32 4 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]ethanamine N-[[3,5-dimethyl-1-[[(3S)-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) 1.18 5.05 -43.25 2 4 1 44 238.355 5 ↓
Hi High (pH 8-9.5) 1.18 3.67 -7.15 1 4 0 39 237.347 5 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]ethanamine N-[[3,5-dimethyl-1-[[(3R)-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) 1.18 5.03 -43.06 2 4 1 44 238.355 5 ↓
Hi High (pH 8-9.5) 1.18 3.66 -7.34 1 4 0 39 237.347 5 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]propan-1-amine N-[[3,5-dimethyl-1-[[(3S)-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) 1.68 5.8 -44.07 2 4 1 44 252.382 6 ↓
Hi High (pH 8-9.5) 1.68 4.43 -7.08 1 4 0 39 251.374 6 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]propan-1-amine N-[[3,5-dimethyl-1-[[(3R)-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) 1.68 5.78 -43.83 2 4 1 44 252.382 6 ↓
Hi High (pH 8-9.5) 1.68 4.43 -7.24 1 4 0 39 251.374 6 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]propan-2-amine N-[[3,5-dimethyl-1-[[(3S)-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) 1.48 5.52 -41.58 2 4 1 44 252.382 5 ↓
Hi High (pH 8-9.5) 1.48 4.3 -6.91 1 4 0 39 251.374 5 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]propan-2-amine N-[[3,5-dimethyl-1-[[(3R)-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) 1.48 5.22 -39.72 2 4 1 44 252.382 5 ↓
Hi High (pH 8-9.5) 1.48 4 -6.43 1 4 0 39 251.374 5 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[3,5-dimethyl-1-[[(3S)-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) 1.99 5.94 -39.85 2 4 1 44 266.409 5 ↓
Hi High (pH 8-9.5) 1.99 4.73 -6.81 1 4 0 39 265.401 5 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[3,5-dimethyl-1-[[(3R)-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) 1.99 5.64 -37.89 2 4 1 44 266.409 5 ↓
Hi High (pH 8-9.5) 1.99 4.43 -6.29 1 4 0 39 265.401 5 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[3,5-dimethyl-1-[[(3S)-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) 1.93 6.45 -43.74 2 4 1 44 266.409 6 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[3,5-dimethyl-1-[[(3R)-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) 1.93 6.14 -41.9 2 4 1 44 266.409 6 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]-2-methoxy-ethanamine N-[[3,5-dimethyl-1-[[(3S)-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) 0.79 4.14 -42.91 2 5 1 53 268.381 7 ↓
Hi High (pH 8-9.5) 0.79 2.7 -8.56 1 5 0 48 267.373 7 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrazol-4-yl]methyl]-2-methoxy-ethanamine N-[[3,5-dimethyl-1-[[(3R)-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) 0.79 3.83 -41.3 2 5 1 53 268.381 7 ↓
Hi High (pH 8-9.5) 0.79 2.4 -8.19 1 5 0 48 267.373 7 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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