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Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-(1,2,4-triazol-1-yl)ethanamine (1R)-1-cyclopropyl-N-methyl-2-(1…

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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 6.16 -40.02 2 4 1 47 167.236 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-2-(1,2,4-triazol-1-yl)ethanamine (1S)-1-cyclopropyl-N-methyl-2-(1…

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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 6.12 -34.93 2 4 1 47 167.236 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(1,2,4-triazol-1-yl)ethanamine (1R)-1-cyclopropyl-N-ethyl-2-(1,…

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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) 0.48 6.65 -38.69 2 4 1 47 181.263 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(1,2,4-triazol-1-yl)ethanamine (1S)-1-cyclopropyl-N-ethyl-2-(1,…

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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) 0.48 7.09 -33.9 2 4 1 47 181.263 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanamine (1R)-1-cyclopropyl-2-(1,2,4-tria…

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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) -0.81 4.52 -44.16 3 4 1 58 153.209 3 ↓
Hi High (pH 8-9.5) -0.81 4.06 -7.34 2 4 0 57 152.201 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanamine (1S)-1-cyclopropyl-2-(1,2,4-tria…

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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) -0.81 4.78 -38.93 3 4 1 58 153.209 3 ↓
Hi High (pH 8-9.5) -0.81 4.49 -6.55 2 4 0 57 152.201 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(1,2,4-t…

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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) 0.98 7.4 -39.32 2 4 1 47 195.29 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(1,2,4-t…

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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) 0.98 7.84 -34.39 2 4 1 47 195.29 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-ethanamine (1R)-1-cyclopropyl-2-(3,5-dimeth…

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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 5.6 -48.39 2 4 1 47 195.29 4 ↓
Lo Low (pH 4.5-6) 0.28 6.02 -95.68 3 4 2 49 196.298 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-ethanamine (1S)-1-cyclopropyl-2-(3,5-dimeth…

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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 5.6 -36.45 2 4 1 47 195.29 4 ↓
Lo Low (pH 4.5-6) 0.28 6.03 -90.09 3 4 2 49 196.298 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-ethanamine (1R)-1-cyclopropyl-2-(3,5-dimeth…

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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) 0.65 6.4 -35.6 2 4 1 47 209.317 5 ↓
Lo Low (pH 4.5-6) 0.65 6.83 -90.06 3 4 2 49 210.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-ethanamine (1S)-1-cyclopropyl-2-(3,5-dimeth…

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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) 0.65 6.11 -41.56 2 4 1 47 209.317 5 ↓
Lo Low (pH 4.5-6) 0.65 6.55 -97.7 3 4 2 49 210.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine (1R)-1-cyclopropyl-2-(3,5-dimeth…

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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 3.78 -48.11 3 4 1 58 181.263 3 ↓
Hi High (pH 8-9.5) -0.63 3.64 -8.58 2 4 0 57 180.255 3 ↓
Lo Low (pH 4.5-6) -0.63 4.21 -105.01 4 4 2 60 182.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanamine (1S)-1-cyclopropyl-2-(3,5-dimeth…

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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 4.29 -40.64 3 4 1 58 181.263 3 ↓
Hi High (pH 8-9.5) -0.63 3.95 -6.9 2 4 0 57 180.255 3 ↓
Lo Low (pH 4.5-6) -0.63 4.72 -95.34 4 4 2 60 182.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropyl-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(3,5-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) 1.16 7.15 -36.09 2 4 1 47 223.344 6 ↓
Lo Low (pH 4.5-6) 1.16 7.58 -91.4 3 4 2 49 224.352 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropyl-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(3,5-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) 1.16 6.86 -42.27 2 4 1 47 223.344 6 ↓
Lo Low (pH 4.5-6) 1.16 7.29 -99.59 3 4 2 49 224.352 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(isopropylamino)-3-(1,2,4-triazol-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(isopropyla…

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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 6.76 -11.83 1 5 0 67 219.292 5 ↓
Lo Low (pH 4.5-6) 0.63 6.45 -56.93 2 5 1 71 220.3 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(isopropylamino)-3-(1,2,4-triazol-1-yl)propanenitrile (2R)-2-cyclopropyl-2-(isopropyla…

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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 6.13 -9.19 1 5 0 67 219.292 5 ↓
Lo Low (pH 4.5-6) 0.63 7.32 -34.54 2 5 1 71 220.3 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(propylamino)-3-(1,2,4-triazol-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(propylamin…

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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) 0.84 6.94 -12.24 1 5 0 67 219.292 6 ↓
Lo Low (pH 4.5-6) 0.84 6.92 -58.84 2 5 1 71 220.3 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(propylamino)-3-(1,2,4-triazol-1-yl)propanenitrile (2R)-2-cyclopropyl-2-(propylamin…

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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) 0.84 6.2 -11.31 1 5 0 67 219.292 6 ↓
Lo Low (pH 4.5-6) 0.84 7.42 -49.87 2 5 1 71 220.3 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-(1,2,4-triazol-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(ethylamino…

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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) 0.33 6.19 -12.21 1 5 0 67 205.265 5 ↓
Lo Low (pH 4.5-6) 0.33 6.16 -57.67 2 5 1 71 206.273 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-(1,2,4-triazol-1-yl)propanenitrile (2R)-2-cyclopropyl-2-(ethylamino…

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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) 0.33 5.44 -11.35 1 5 0 67 205.265 5 ↓
Lo Low (pH 4.5-6) 0.33 6.65 -49.11 2 5 1 71 206.273 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(1,2,4-triazol-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(methylamin…

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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) -0.04 5.3 -12.51 1 5 0 67 191.238 4 ↓
Lo Low (pH 4.5-6) -0.04 6.09 -44.22 2 5 1 71 192.246 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-(1,2,4-triazol-1-yl)propanenitrile (2R)-2-cyclopropyl-2-(methylamin…

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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) -0.04 4.52 -11.64 1 5 0 67 191.238 4 ↓
Lo Low (pH 4.5-6) -0.04 5.92 -51.68 2 5 1 71 192.246 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanenitrile (2R)-2-amino-2-cyclopropyl-3-(1,…

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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) -0.42 4.29 -15.11 2 5 0 81 177.211 3 ↓
Lo Low (pH 4.5-6) -0.42 4.78 -54.58 3 5 1 82 178.219 3 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propanenitrile (2S)-2-amino-2-cyclopropyl-3-(1,…

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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) -0.42 4.76 -11.23 2 5 0 81 177.211 3 ↓
Lo Low (pH 4.5-6) -0.42 5.03 -46.63 3 5 1 82 178.219 3 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(methylamino)propanenitrile (2R)-2-cyclopropyl-3-(3,5-dimeth…

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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) 0.13 3.67 -8.6 1 5 0 67 219.292 4 ↓
Lo Low (pH 4.5-6) 0.13 4.97 -53.85 2 5 1 71 220.3 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-(3,5-dimeth…

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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) 0.13 4.04 -16.2 1 5 0 67 219.292 4 ↓
Lo Low (pH 4.5-6) 0.13 5.23 -59.2 2 5 1 71 220.3 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanenitrile (2R)-2-amino-2-cyclopropyl-3-(3,…

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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 3.47 -16.57 2 5 0 81 205.265 3 ↓
Lo Low (pH 4.5-6) -0.24 3.76 -59.81 3 5 1 82 206.273 3 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanenitrile (2S)-2-amino-2-cyclopropyl-3-(3,…

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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 3.55 -11.08 2 5 0 81 205.265 3 ↓
Lo Low (pH 4.5-6) -0.24 4.09 -45.98 3 5 1 82 206.273 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyano-2-cyclopropyl-2-(methylamino)ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2S)-2-cyano-2-cyclopropyl-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) -0.18 4.39 -16.03 1 6 0 90 216.248 4 ↓
Lo Low (pH 4.5-6) -0.18 5.5 -51.56 2 6 1 95 217.256 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-cyano-2-cyclopropyl-2-(methylamino)ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2R)-2-cyano-2-cyclopropyl-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) -0.18 4 -17.08 1 6 0 90 216.248 4 ↓
Lo Low (pH 4.5-6) -0.18 5.24 -63.31 2 6 1 95 217.256 4 ↓

Analogs

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Popular Name: 1-[(2R)-2-amino-2-cyano-2-cyclopropyl-ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2R)-2-amino-2-cyano-2-cyclop…

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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) -0.56 3.46 -20.85 2 6 0 104 202.221 3 ↓
Lo Low (pH 4.5-6) -0.56 3.77 -68.07 3 6 1 106 203.229 3 ↓

Analogs

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Popular Name: 1-[(2S)-2-amino-2-cyano-2-cyclopropyl-ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2S)-2-amino-2-cyano-2-cyclop…

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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) -0.56 4.03 -15.78 2 6 0 104 202.221 3 ↓
Lo Low (pH 4.5-6) -0.56 4.45 -54.53 3 6 1 106 203.229 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanol (1R)-1-cyclopropyl-2-(1,2,4-tria…

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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) -0.32 3.81 -9.92 1 4 0 51 153.185 3 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanol (1S)-1-cyclopropyl-2-(1,2,4-tria…

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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) -0.32 4.01 -9.37 1 4 0 51 153.185 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanol (1R)-1-cyclopropyl-2-(3,5-dimeth…

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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) -0.14 3.27 -10.92 1 4 0 51 181.239 3 ↓
Lo Low (pH 4.5-6) -0.14 3.7 -32.15 2 4 1 52 182.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanol (1S)-1-cyclopropyl-2-(3,5-dimeth…

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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) -0.14 3.5 -10.07 1 4 0 51 181.239 3 ↓
Lo Low (pH 4.5-6) -0.14 3.93 -32.05 2 4 1 52 182.247 3 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(isopropylamino)propanenitrile (2R)-2-cyclopropyl-3-(3,5-dimeth…

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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) 0.81 5.29 -9.01 1 5 0 67 247.346 5 ↓
Lo Low (pH 4.5-6) 0.81 6.34 -48.84 2 5 1 71 248.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(isopropylamino)propanenitrile (2S)-2-cyclopropyl-3-(3,5-dimeth…

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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) 0.81 5.49 -16.01 1 5 0 67 247.346 5 ↓
Lo Low (pH 4.5-6) 0.81 6.34 -41.73 2 5 1 71 248.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(propylamino)propanenitrile (2S)-2-cyclopropyl-3-(3,5-dimeth…

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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) 1.01 6.24 -8.29 1 5 0 67 247.346 6 ↓
Lo Low (pH 4.5-6) 1.01 6.76 -53.7 2 5 1 71 248.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(propylamino)propanenitrile (2R)-2-cyclopropyl-3-(3,5-dimeth…

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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) 1.01 5.2 -17.18 1 5 0 67 247.346 6 ↓
Lo Low (pH 4.5-6) 1.01 6.91 -40.17 2 5 1 71 248.354 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanenitrile (2S)-2-cyclopropyl-3-(3,5-dimeth…

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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 5.49 -8.46 1 5 0 67 233.319 5 ↓
Lo Low (pH 4.5-6) 0.51 6 -52.91 2 5 1 71 234.327 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-(ethylamino)propanenitrile (2R)-2-cyclopropyl-3-(3,5-dimeth…

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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 4.45 -17.2 1 5 0 67 233.319 5 ↓
Lo Low (pH 4.5-6) 0.51 6.14 -39.68 2 5 1 71 234.327 5 ↓

Analogs

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Popular Name: 1-[(2S)-2-cyano-2-cyclopropyl-2-(isopropylamino)ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2S)-2-cyano-2-cyclopropyl-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) 0.49 5.34 -17.42 1 6 0 90 244.302 5 ↓
Lo Low (pH 4.5-6) 0.49 6.25 -67.32 2 6 1 95 245.31 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyano-2-cyclopropyl-2-(isopropylamino)ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2R)-2-cyano-2-cyclopropyl-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) 0.49 5.55 -12.46 1 6 0 90 244.302 5 ↓
Lo Low (pH 4.5-6) 0.49 6.36 -60 2 6 1 95 245.31 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyano-2-cyclopropyl-2-(propylamino)ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2S)-2-cyano-2-cyclopropyl-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) 0.70 5.45 -17.97 1 6 0 90 244.302 6 ↓
Lo Low (pH 4.5-6) 0.70 7.08 -49.68 2 6 1 95 245.31 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyano-2-cyclopropyl-2-(propylamino)ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2R)-2-cyano-2-cyclopropyl-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) 0.70 5.61 -14.99 1 6 0 90 244.302 6 ↓
Lo Low (pH 4.5-6) 0.70 6.85 -60.69 2 6 1 95 245.31 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-2-cyano-2-cyclopropyl-2-(ethylamino)ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2S)-2-cyano-2-cyclopropyl-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 4.69 -17.94 1 6 0 90 230.275 5 ↓
Lo Low (pH 4.5-6) 0.19 6.32 -49.05 2 6 1 95 231.283 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-cyano-2-cyclopropyl-2-(ethylamino)ethyl]-1,2,4-triazole-3-carbonitrile 1-[(2R)-2-cyano-2-cyclopropyl-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 4.85 -15 1 6 0 90 230.275 5 ↓
Lo Low (pH 4.5-6) 0.19 6.08 -59.8 2 6 1 95 231.283 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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