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Analogs

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Popular Name: (1R)-1-cyclopropyl-2-indazol-1-yl-N-methyl-ethanamine (1R)-1-cyclopropyl-2-indazol-1-y…

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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) 2.34 6.76 -32.36 2 3 1 34 216.308 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-indazol-1-yl-N-methyl-ethanamine (1S)-1-cyclopropyl-2-indazol-1-y…

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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) 2.34 6.47 -35.4 2 3 1 34 216.308 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-indazol-1-yl-ethanamine (1R)-1-cyclopropyl-2-indazol-1-y…

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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) 1.43 4.96 -40.45 3 3 1 45 202.281 3 ↓
Hi High (pH 8-9.5) 1.43 4.62 -5.47 2 3 0 44 201.273 3 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-indazol-1-yl-ethanamine (1S)-1-cyclopropyl-2-indazol-1-y…

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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) 1.43 5.38 -36.56 3 3 1 45 202.281 3 ↓
Hi High (pH 8-9.5) 1.43 4.83 -5.74 2 3 0 44 201.273 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-indazol-1-yl-ethanol (1R)-1-cyclopropyl-2-indazol-1-y…

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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) 1.92 4.35 -7.95 1 3 0 38 202.257 3 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-indazol-1-yl-ethanol (1S)-1-cyclopropyl-2-indazol-1-y…

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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) 1.92 4.61 -7.39 1 3 0 38 202.257 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-indazol-1-yl-ethanamine (1R)-1-cyclopropyl-N-ethyl-2-ind…

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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) 2.71 7.49 -31.41 2 3 1 34 230.335 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-indazol-1-yl-ethanamine (1S)-1-cyclopropyl-N-ethyl-2-ind…

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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) 2.71 7.45 -34.7 2 3 1 34 230.335 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-indazol-1-yl-ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-indazol-…

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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) 3.21 8.25 -31.83 2 3 1 34 244.362 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-indazol-1-yl-ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-indazol-…

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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) 3.21 8.2 -35.25 2 3 1 34 244.362 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-indazol-1-yl-2-(isopropylamino)propanenitrile (2S)-2-cyclopropyl-3-indazol-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 7.23 -7.04 1 4 0 54 268.364 5 ↓
Lo Low (pH 4.5-6) 2.87 7.61 -44.51 2 4 1 58 269.372 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-indazol-1-yl-2-(isopropylamino)propanenitrile (2R)-2-cyclopropyl-3-indazol-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 6.38 -12.39 1 4 0 54 268.364 5 ↓
Lo Low (pH 4.5-6) 2.87 7.33 -49.08 2 4 1 58 269.372 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-indazol-1-yl-2-(propylamino)propanenitrile (2S)-2-cyclopropyl-3-indazol-1-y…

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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) 3.07 7.45 -7.22 1 4 0 54 268.364 6 ↓
Lo Low (pH 4.5-6) 3.07 8.05 -45.6 2 4 1 58 269.372 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-indazol-1-yl-2-(propylamino)propanenitrile (2R)-2-cyclopropyl-3-indazol-1-y…

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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) 3.07 6.45 -12.35 1 4 0 54 268.364 6 ↓
Lo Low (pH 4.5-6) 3.07 8.15 -37.73 2 4 1 58 269.372 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-indazol-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) 2.57 6.7 -7.27 1 4 0 54 254.337 5 ↓
Lo Low (pH 4.5-6) 2.57 7.29 -44.96 2 4 1 58 255.345 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-indazol-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) 2.57 5.69 -12.35 1 4 0 54 254.337 5 ↓
Lo Low (pH 4.5-6) 2.57 7.39 -37.29 2 4 1 58 255.345 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-indazol-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 5.28 -12.26 1 4 0 54 240.31 4 ↓
Lo Low (pH 4.5-6) 2.19 6.44 -44.99 2 4 1 58 241.318 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propanenitrile (2R)-2-cyclopropyl-3-indazol-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 5.07 -8.46 1 4 0 54 240.31 4 ↓
Lo Low (pH 4.5-6) 2.19 6.53 -39.45 2 4 1 58 241.318 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-indazol-1-yl-propanenitrile (2R)-2-amino-2-cyclopropyl-3-ind…

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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) 1.82 4.71 -12 2 4 0 68 226.283 3 ↓
Lo Low (pH 4.5-6) 1.82 5.01 -51.49 3 4 1 69 227.291 3 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-indazol-1-yl-propanenitrile (2S)-2-amino-2-cyclopropyl-3-ind…

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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) 1.82 4.76 -9.2 2 4 0 68 226.283 3 ↓
Lo Low (pH 4.5-6) 1.82 5.3 -43.51 3 4 1 69 227.291 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.64 7.32 -5.74 1 5 0 56 287.363 7 ↓
Mid Mid (pH 6-8) 2.64 8.52 -30.8 2 5 1 61 288.371 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.64 6.88 -6.26 1 5 0 56 287.363 7 ↓
Mid Mid (pH 6-8) 2.64 8.24 -30.33 2 5 1 61 288.371 7 ↓

Analogs

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Popular Name: methyl 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) 1.90 5.47 -5.83 2 5 0 70 259.309 5 ↓
Lo Low (pH 4.5-6) 1.90 5.79 -35.1 3 5 1 72 260.317 5 ↓

Analogs

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Popular Name: methyl 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) 1.90 5.47 -7.26 2 5 0 70 259.309 5 ↓
Lo Low (pH 4.5-6) 1.90 5.72 -39.06 3 5 1 72 260.317 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propanoic (2R)-2-cyclopropyl-3-indazol-1-y…

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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 6.96 -32.42 2 5 0 75 259.309 5 ↓
Hi High (pH 8-9.5) -0.33 5.35 -48.19 1 5 -1 70 258.301 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propanoic (2S)-2-cyclopropyl-3-indazol-1-y…

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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 6.94 -41.33 2 5 0 75 259.309 5 ↓
Hi High (pH 8-9.5) -0.33 6.25 -46.28 1 5 -1 70 258.301 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-indazol-1-yl-2-(propylamino)propanamide (2R)-2-cyclopropyl-3-indazol-1-y…

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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) 2.02 5.22 -34.51 4 5 1 78 287.387 7 ↓
Mid Mid (pH 6-8) 2.02 3.68 -9.42 3 5 0 73 286.379 7 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-indazol-1-yl-2-(propylamino)propanamide (2S)-2-cyclopropyl-3-indazol-1-y…

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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) 2.02 4.73 -49.54 4 5 1 78 287.387 7 ↓
Mid Mid (pH 6-8) 2.02 3.63 -10.44 3 5 0 73 286.379 7 ↓

Analogs

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Popular Name: methyl 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) 2.64 6.43 -7.93 1 5 0 56 287.363 7 ↓
Mid Mid (pH 6-8) 2.64 7.94 -32.03 2 5 1 61 288.371 7 ↓

Analogs

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Popular Name: methyl 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) 2.64 7.37 -8.53 1 5 0 56 287.363 7 ↓
Mid Mid (pH 6-8) 2.64 7.74 -42.34 2 5 1 61 288.371 7 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-indazol-1-yl-propanoic (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) 0.05 7.87 -30.98 2 5 0 75 273.336 6 ↓
Hi High (pH 8-9.5) 0.05 6.23 -48.73 1 5 -1 70 272.328 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-indazol-1-yl-propanoic (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) 0.05 7.8 -40.99 2 5 0 75 273.336 6 ↓
Hi High (pH 8-9.5) 0.05 7.14 -46.76 1 5 -1 70 272.328 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-indazol-1-yl-propanamide (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) 1.51 4.46 -34.17 4 5 1 78 273.36 6 ↓
Mid Mid (pH 6-8) 1.51 2.91 -9.57 3 5 0 73 272.352 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(ethylamino)-3-indazol-1-yl-propanamide (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) 1.51 3.98 -48.88 4 5 1 78 273.36 6 ↓
Mid Mid (pH 6-8) 1.51 2.87 -10.53 3 5 0 73 272.352 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propanamide (2R)-2-cyclopropyl-3-indazol-1-y…

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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 3.36 -43.59 4 5 1 78 259.333 5 ↓
Mid Mid (pH 6-8) 1.14 2.28 -8.29 3 5 0 73 258.325 5 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propanamide (2S)-2-cyclopropyl-3-indazol-1-y…

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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 3.8 -41.4 4 5 1 78 259.333 5 ↓
Mid Mid (pH 6-8) 1.14 2.71 -8.8 3 5 0 73 258.325 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-indazol-1-yl-2-(isopropylamino)propanoic (2R)-2-cyclopropyl-3-indazol-1-y…

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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) 0.35 8.13 -29.88 2 5 0 75 287.363 6 ↓
Hi High (pH 8-9.5) 0.35 7.22 -51.75 1 5 -1 70 286.355 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-indazol-1-yl-2-(isopropylamino)propanoic (2S)-2-cyclopropyl-3-indazol-1-y…

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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) 0.35 7.95 -33.38 2 5 0 75 287.363 6 ↓
Hi High (pH 8-9.5) 0.35 7.54 -47.14 1 5 -1 70 286.355 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-indazol-1-yl-2-(isopropylamino)propanamide (2R)-2-cyclopropyl-3-indazol-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 4.88 -33.34 4 5 1 78 287.387 6 ↓
Hi High (pH 8-9.5) 1.81 3.34 -12.43 3 5 0 73 286.379 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-indazol-1-yl-2-(isopropylamino)propanamide (2S)-2-cyclopropyl-3-indazol-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 5.05 -48.29 4 5 1 78 287.387 6 ↓
Hi High (pH 8-9.5) 1.81 3.2 -12.17 3 5 0 73 286.379 6 ↓

Analogs

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Popular Name: methyl 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) 2.27 5.73 -10.33 1 5 0 56 273.336 6 ↓
Mid Mid (pH 6-8) 2.27 7 -47.53 2 5 1 61 274.344 6 ↓

Analogs

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Popular Name: methyl 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) 2.27 6.38 -6.2 1 5 0 56 273.336 6 ↓
Mid Mid (pH 6-8) 2.27 7.6 -31.4 2 5 1 61 274.344 6 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-indazol-1-yl-propanoic (2S)-2-amino-2-cyclopropyl-3-ind…

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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 5.74 -34.34 3 5 0 86 245.282 4 ↓
Hi High (pH 8-9.5) -0.70 5.48 -50.77 2 5 -1 84 244.274 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-indazol-1-yl-propanoic (2R)-2-amino-2-cyclopropyl-3-ind…

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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 5.84 -44.35 3 5 0 86 245.282 4 ↓
Hi High (pH 8-9.5) -0.70 5.61 -56.99 2 5 -1 84 244.274 4 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-indazol-1-yl-propanamide (2S)-2-amino-2-cyclopropyl-3-ind…

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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 2.3 -40.74 5 5 1 89 245.306 4 ↓
Mid Mid (pH 6-8) 0.76 2.02 -7.19 4 5 0 87 244.298 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-indazol-1-yl-propanamide (2R)-2-amino-2-cyclopropyl-3-ind…

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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 1.95 -49.5 5 5 1 89 245.306 4 ↓
Mid Mid (pH 6-8) 0.76 1.67 -12.8 4 5 0 87 244.298 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.27 6.24 -6.14 2 5 0 70 273.336 6 ↓
Mid Mid (pH 6-8) 2.27 6.71 -34.49 3 5 1 72 274.344 6 ↓

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Popular Name: ethyl ethyl

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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) 2.27 6.35 -6.55 2 5 0 70 273.336 6 ↓
Mid Mid (pH 6-8) 2.27 6.64 -38.46 3 5 1 72 274.344 6 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-indazol-1-yl-2-(propylamino)propanoic (2R)-2-cyclopropyl-3-indazol-1-y…

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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) 0.55 8.63 -30.17 2 5 0 75 287.363 7 ↓
Hi High (pH 8-9.5) 0.55 6.99 -49.04 1 5 -1 70 286.355 7 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-indazol-1-yl-2-(propylamino)propanoic (2S)-2-cyclopropyl-3-indazol-1-y…

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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) 0.55 8.55 -40.91 2 5 0 75 287.363 7 ↓
Hi High (pH 8-9.5) 0.55 7.89 -46.96 1 5 -1 70 286.355 7 ↓

Parameters Provided:

ring.id = 247180
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 247180 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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