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Popular Name: (4R)-4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-methyl-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) -0.87 3.65 -57.78 3 6 1 86 220.256 3 ↓
Hi High (pH 8-9.5) -0.87 3.31 -18.19 2 6 0 84 219.248 3 ↓
Hi High (pH 8-9.5) -0.87 3.26 -16.46 2 6 0 84 219.248 3 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-(4,6-dim…

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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 4.9 -57.66 3 6 1 86 248.31 3 ↓
Hi High (pH 8-9.5) 0.01 4.55 -18.72 2 6 0 84 247.302 3 ↓
Hi High (pH 8-9.5) 0.01 4.51 -16.95 2 6 0 84 247.302 3 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-(4,6-di…

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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 5.73 -55.82 3 6 1 86 262.337 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-(4,6-dimethylpyrimidin-2-yl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-tert-but…

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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) 1.34 6.64 -57.12 3 6 1 86 290.391 4 ↓
Hi High (pH 8-9.5) 1.34 6.25 -16.97 2 6 0 84 289.383 4 ↓
Hi High (pH 8-9.5) 1.34 6.24 -15.33 2 6 0 84 289.383 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-isopropyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-(4,6-dim…

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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 6.37 -57.56 3 6 1 86 276.364 4 ↓
Hi High (pH 8-9.5) 0.76 5.98 -17.41 2 6 0 84 275.356 4 ↓
Hi High (pH 8-9.5) 0.76 5.97 -15.72 2 6 0 84 275.356 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-(4,6-dim…

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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) 0.51 5.75 -58.5 3 6 1 86 262.337 4 ↓
Hi High (pH 8-9.5) 0.51 5.36 -18.48 2 6 0 84 261.329 4 ↓
Hi High (pH 8-9.5) 0.51 5.36 -16.73 2 6 0 84 261.329 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-propyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-(4,6-dim…

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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) 1.07 6.52 -58.45 3 6 1 86 276.364 5 ↓
Hi High (pH 8-9.5) 1.07 6.13 -18.08 2 6 0 84 275.356 5 ↓
Hi High (pH 8-9.5) 1.07 6.13 -16.31 2 6 0 84 275.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-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) -0.60 4.48 -56.08 3 6 1 86 234.283 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-tert-but…

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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) 0.46 5.41 -57.4 3 6 1 86 262.337 4 ↓
Hi High (pH 8-9.5) 0.46 5.02 -16.51 2 6 0 84 261.329 4 ↓
Hi High (pH 8-9.5) 0.46 5.02 -14.87 2 6 0 84 261.329 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-isopropyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-isopropy…

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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) -0.12 5.12 -57.86 3 6 1 86 248.31 4 ↓
Hi High (pH 8-9.5) -0.12 4.72 -16.94 2 6 0 84 247.302 4 ↓
Hi High (pH 8-9.5) -0.12 4.72 -15.28 2 6 0 84 247.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-ethyl-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) -0.37 4.54 -58.23 3 6 1 86 234.283 4 ↓
Hi High (pH 8-9.5) -0.37 4.14 -17.85 2 6 0 84 233.275 4 ↓
Hi High (pH 8-9.5) -0.37 4.15 -16.17 2 6 0 84 233.275 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-propyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-propyl-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) 0.19 5.3 -58.24 3 6 1 86 248.31 5 ↓
Hi High (pH 8-9.5) 0.19 4.91 -17.45 2 6 0 84 247.302 5 ↓
Hi High (pH 8-9.5) 0.19 4.91 -15.77 2 6 0 84 247.302 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-(4,6-di…

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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) 0.78 6.53 -56.56 3 6 1 86 276.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-isopropyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-(4,6-di…

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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 7.15 -55.53 3 6 1 86 290.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-propyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-(4,6-di…

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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) 1.34 7.29 -56.45 3 6 1 86 290.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-ethyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-ethyl-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) -0.10 5.31 -56.32 3 6 1 86 248.31 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-tert-butyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-tert-bu…

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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) 0.73 6.19 -55.62 3 6 1 86 276.364 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-isopropyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-isoprop…

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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) 0.15 5.89 -55.86 3 6 1 86 262.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-propyl-2-pyrimidin-2-yl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-5-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) 0.46 6.08 -56.22 3 6 1 86 262.337 6 ↓