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Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-2-[(1R,2S)-2-hydroxycyclopentyl]-5-methyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-[(1R,2S)…

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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 0.49 -48.37 4 5 1 81 226.3 3 ↓
Hi High (pH 8-9.5) -0.49 0.15 -10.59 3 5 0 79 225.292 3 ↓
Hi High (pH 8-9.5) -0.49 0.1 -9.29 3 5 0 79 225.292 3 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-[(1S,2S)…

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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 -0.11 -50.55 4 5 1 81 226.3 3 ↓
Hi High (pH 8-9.5) -0.49 -0.45 -11.79 3 5 0 79 225.292 3 ↓
Hi High (pH 8-9.5) -0.49 -0.5 -10.2 3 5 0 79 225.292 3 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-2-cyclopentyl-5-methyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-cyclopen…

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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) 0.66 3.26 -48.27 3 4 1 60 210.301 3 ↓
Hi High (pH 8-9.5) 0.66 2.92 -8.92 2 4 0 59 209.293 3 ↓
Hi High (pH 8-9.5) 0.66 2.87 -7.56 2 4 0 59 209.293 3 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-cyclopentyl-5-methyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-cyclope…

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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) 0.93 4.04 -46.66 3 4 1 60 224.328 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-2-cyclopentyl-5-ethyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-cyclopen…

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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 4.15 -48.53 3 4 1 60 224.328 4 ↓
Hi High (pH 8-9.5) 1.16 3.76 -8.53 2 4 0 59 223.32 4 ↓
Hi High (pH 8-9.5) 1.16 3.76 -7.22 2 4 0 59 223.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-2-[(1R,2S)-2-hydroxycyclopentyl]-5-methyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-[(1R,2S…

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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) -0.22 1.32 -47.55 4 5 1 81 240.327 4 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-[(1S,2S…

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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) -0.22 0.72 -48.65 4 5 1 81 240.327 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-[(1R,2S)-2-hydroxycyclopentyl]-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) 0.83 2.25 -48.68 4 5 1 81 268.381 4 ↓
Hi High (pH 8-9.5) 0.83 1.86 -9.39 3 5 0 79 267.373 4 ↓
Hi High (pH 8-9.5) 0.83 1.85 -8.08 3 5 0 79 267.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-[(1S,2S)-2-hydroxycyclopentyl]-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) 0.83 1.66 -49.81 4 5 1 81 268.381 4 ↓
Hi High (pH 8-9.5) 0.83 1.26 -10.18 3 5 0 79 267.373 4 ↓
Hi High (pH 8-9.5) 0.83 1.25 -8.73 3 5 0 79 267.373 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-2-[(1R,2S)-2-hydroxycyclopentyl]-5-isopropyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-[(1R,2S)…

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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) 0.25 1.96 -48.77 4 5 1 81 254.354 4 ↓
Hi High (pH 8-9.5) 0.25 1.57 -9.57 3 5 0 79 253.346 4 ↓
Hi High (pH 8-9.5) 0.25 1.56 -8.31 3 5 0 79 253.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-[(1S,2S)-2-hydroxycyclopentyl]-5-isopropyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-[(1S,2S)…

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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) 0.25 1.36 -50.17 4 5 1 81 254.354 4 ↓
Hi High (pH 8-9.5) 0.25 0.97 -10.62 3 5 0 79 253.346 4 ↓
Hi High (pH 8-9.5) 0.25 0.97 -9.04 3 5 0 79 253.346 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-[(1R,2S)-2-hydroxycyclopentyl]-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) 0.01 1.38 -48.93 4 5 1 81 240.327 4 ↓
Hi High (pH 8-9.5) 0.01 0.99 -10.15 3 5 0 79 239.319 4 ↓
Hi High (pH 8-9.5) 0.01 0.99 -8.89 3 5 0 79 239.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-[(1S,2S)-2-hydroxycyclopentyl]-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) 0.01 0.78 -50.47 4 5 1 81 240.327 4 ↓
Hi High (pH 8-9.5) 0.01 0.39 -11.4 3 5 0 79 239.319 4 ↓
Hi High (pH 8-9.5) 0.01 0.39 -9.73 3 5 0 79 239.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-[(1R,2S)-2-hydroxycyclopentyl]-5-propyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-[(1R,2S)…

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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) 0.57 2.15 -48.94 4 5 1 81 254.354 5 ↓
Hi High (pH 8-9.5) 0.57 1.76 -9.82 3 5 0 79 253.346 5 ↓
Hi High (pH 8-9.5) 0.57 1.76 -8.62 3 5 0 79 253.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-[(1S,2S)-2-hydroxycyclopentyl]-5-propyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-[(1S,2S)…

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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) 0.57 1.55 -50.49 4 5 1 81 254.354 5 ↓
Hi High (pH 8-9.5) 0.57 1.16 -11.06 3 5 0 79 253.346 5 ↓
Hi High (pH 8-9.5) 0.57 1.16 -9.41 3 5 0 79 253.346 5 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-cyclopentyl-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) 1.98 5.03 -48.16 3 4 1 60 252.382 4 ↓
Hi High (pH 8-9.5) 1.98 4.64 -7.6 2 4 0 59 251.374 4 ↓
Hi High (pH 8-9.5) 1.98 4.61 -6.12 2 4 0 59 251.374 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-2-cyclopentyl-5-isopropyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-cyclopen…

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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) 1.40 4.73 -48.33 3 4 1 60 238.355 4 ↓
Hi High (pH 8-9.5) 1.40 4.34 -7.86 2 4 0 59 237.347 4 ↓
Hi High (pH 8-9.5) 1.40 4.34 -6.52 2 4 0 59 237.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-cyclopentyl-5-propyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-cyclopen…

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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) 1.72 4.9 -48.37 3 4 1 60 238.355 5 ↓
Hi High (pH 8-9.5) 1.72 4.51 -8.16 2 4 0 59 237.347 5 ↓
Hi High (pH 8-9.5) 1.72 4.53 -6.86 2 4 0 59 237.347 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-ethyl-2-[(1R,2S)-2-hydroxycyclopentyl]-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) 0.28 2.16 -47.6 4 5 1 81 254.354 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-ethyl-2-[(1S,2S)-2-hydroxycyclopentyl]-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) 0.28 1.56 -48.65 4 5 1 81 254.354 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-tert-butyl-2-[(1R,2S)-2-hydroxycyclopentyl]-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) 1.10 3.03 -47.36 4 5 1 81 282.408 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-tert-butyl-2-[(1S,2S)-2-hydroxycyclopentyl]-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) 1.10 2.43 -48.07 4 5 1 81 282.408 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-[(1R,2S)-2-hydroxycyclopentyl]-5-isopropyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-[(1R,2S…

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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) 0.52 2.74 -47.34 4 5 1 81 268.381 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-[(1S,2S)-2-hydroxycyclopentyl]-5-isopropyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-[(1S,2S…

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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) 0.52 2.14 -48.32 4 5 1 81 268.381 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-[(1R,2S)-2-hydroxycyclopentyl]-5-propyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-[(1R,2S…

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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 2.92 -47.46 4 5 1 81 268.381 6 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-[(1S,2S)-2-hydroxycyclopentyl]-5-propyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-[(1S,2S…

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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 2.33 -48.61 4 5 1 81 268.381 6 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-cyclopentyl-5-ethyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-cyclope…

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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 4.93 -46.82 3 4 1 60 238.355 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-tert-butyl-2-cyclopentyl-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) 2.25 5.8 -46.48 3 4 1 60 266.409 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-cyclopentyl-5-isopropyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-cyclope…

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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) 1.67 5.51 -46.54 3 4 1 60 252.382 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-cyclopentyl-5-propyl-4H-pyrazol-3-one (4R)-4-(3-aminopropyl)-2-cyclope…

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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 5.7 -46.77 3 4 1 60 252.382 6 ↓

Analogs

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Popular Name: 2-cyclopentyl-5-ethyl-4H-pyrazol-3-one 2-cyclopentyl-5-ethyl-4H-pyrazol…

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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) 2.03 5.2 -12.19 1 3 0 38 180.251 2 ↓
Mid Mid (pH 6-8) 2.48 3.22 -5.81 1 3 0 38 180.251 2 ↓

Analogs

40927510
40927510

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Popular Name: 2-cyclopentyl-5-isopropyl-4H-pyrazol-3-one 2-cyclopentyl-5-isopropyl-4H-pyr…

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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) 2.51 5.79 -11.34 1 3 0 38 194.278 2 ↓
Mid Mid (pH 6-8) 2.97 3.73 -5.73 1 3 0 38 194.278 2 ↓

Analogs

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Popular Name: (4R)-2-cyclopentyl-4-ethyl-5-methyl-4H-pyrazol-3-one (4R)-2-cyclopentyl-4-ethyl-5-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.30 5.85 -13.4 1 3 0 38 194.278 2 ↓
Mid Mid (pH 6-8) 2.75 3.89 -5.79 1 3 0 38 194.278 2 ↓

Analogs

28887147
28887147
15043198
15043198

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Popular Name: 2-cyclopentyl-5-propyl-4H-pyrazol-3-one 2-cyclopentyl-5-propyl-4H-pyrazo…

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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) 2.53 5.99 -11.79 1 3 0 38 194.278 3 ↓
Mid Mid (pH 6-8) 2.99 4 -5.59 1 3 0 38 194.278 3 ↓

Analogs

20268201
20268201

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Popular Name: 2-(1-cyclopentyl-5-oxo-4H-pyrazol-3-yl)acetic 2-(1-cyclopentyl-5-oxo-4H-pyrazo…

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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) 0.62 5.63 -47.11 0 5 -1 73 209.225 3 ↓

Parameters Provided:

ring.id = 264645
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 = 264645 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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