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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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

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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 3.79 -48.26 3 4 1 60 224.328 3 ↓
Hi High (pH 8-9.5) 1.16 3.45 -7.52 2 4 0 59 223.32 3 ↓
Hi High (pH 8-9.5) 1.16 3.4 -8.89 2 4 0 59 223.32 3 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-2-[(1R,2S)-2-hydroxycyclohexyl]-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) 0.01 0.95 -49.22 4 5 1 81 240.327 3 ↓
Hi High (pH 8-9.5) 0.01 0.56 -11.23 3 5 0 79 239.319 3 ↓
Hi High (pH 8-9.5) 0.01 0.51 -9.82 3 5 0 79 239.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-[(1S,2S)-2-hydroxycyclohexyl]-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) 0.01 0.56 -49.13 4 5 1 81 240.327 3 ↓
Hi High (pH 8-9.5) 0.01 0.17 -12.22 3 5 0 79 239.319 3 ↓
Hi High (pH 8-9.5) 0.01 0.11 -10.53 3 5 0 79 239.319 3 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-[(1R,2S)-2-hydroxycyclohexyl]-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) 0.28 1.73 -47.77 4 5 1 81 254.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-2-[(1S,2S)-2-hydroxycyclohexyl]-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) 0.28 1.34 -48.05 4 5 1 81 254.354 4 ↓

Analogs

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Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-[(1R,2S)-2-hydroxycyclohexyl]-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 2.66 -48.85 4 5 1 81 282.408 4 ↓
Hi High (pH 8-9.5) 1.34 2.27 -9.74 3 5 0 79 281.4 4 ↓
Hi High (pH 8-9.5) 1.34 2.26 -8.52 3 5 0 79 281.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-[(1S,2S)-2-hydroxycyclohexyl]-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 2.27 -48.72 4 5 1 81 282.408 4 ↓
Hi High (pH 8-9.5) 1.34 1.88 -10.71 3 5 0 79 281.4 4 ↓
Hi High (pH 8-9.5) 1.34 1.87 -9.2 3 5 0 79 281.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-[(1R,2S)-2-hydroxycyclohexyl]-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) 0.76 2.36 -49.23 4 5 1 81 268.381 4 ↓
Hi High (pH 8-9.5) 0.76 1.97 -10.08 3 5 0 79 267.373 4 ↓
Hi High (pH 8-9.5) 0.76 1.97 -8.75 3 5 0 79 267.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-[(1S,2S)-2-hydroxycyclohexyl]-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) 0.76 1.97 -49.04 4 5 1 81 268.381 4 ↓
Hi High (pH 8-9.5) 0.76 1.58 -11.08 3 5 0 79 267.373 4 ↓
Hi High (pH 8-9.5) 0.76 1.58 -9.52 3 5 0 79 267.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-[(1R,2S)-2-hydroxycyclohexyl]-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) 0.52 1.78 -49.44 4 5 1 81 254.354 4 ↓
Hi High (pH 8-9.5) 0.52 1.39 -10.75 3 5 0 79 253.346 4 ↓
Hi High (pH 8-9.5) 0.52 1.39 -9.41 3 5 0 79 253.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-ethyl-2-[(1S,2S)-2-hydroxycyclohexyl]-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) 0.52 1.39 -49.38 4 5 1 81 254.354 4 ↓
Hi High (pH 8-9.5) 0.52 1 -11.82 3 5 0 79 253.346 4 ↓
Hi High (pH 8-9.5) 0.52 1 -10.13 3 5 0 79 253.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-[(1R,2S)-2-hydroxycyclohexyl]-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) 1.07 2.55 -49.48 4 5 1 81 268.381 5 ↓
Hi High (pH 8-9.5) 1.07 2.16 -10.41 3 5 0 79 267.373 5 ↓
Hi High (pH 8-9.5) 1.07 2.16 -9.13 3 5 0 79 267.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-2-[(1S,2S)-2-hydroxycyclohexyl]-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) 1.07 2.16 -49.34 4 5 1 81 268.381 5 ↓
Hi High (pH 8-9.5) 1.07 1.77 -11.46 3 5 0 79 267.373 5 ↓
Hi High (pH 8-9.5) 1.07 1.77 -9.76 3 5 0 79 267.373 5 ↓

Analogs

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

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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 4.62 -46.61 3 4 1 60 238.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-aminoethyl)-5-tert-butyl-2-cyclohexyl-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) 2.49 5.56 -48.12 3 4 1 60 266.409 4 ↓
Hi High (pH 8-9.5) 2.49 5.17 -6.24 2 4 0 59 265.401 4 ↓
Hi High (pH 8-9.5) 2.49 5.15 -7.6 2 4 0 59 265.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.91 5.26 -48.31 3 4 1 60 252.382 4 ↓
Hi High (pH 8-9.5) 1.91 4.87 -6.51 2 4 0 59 251.374 4 ↓
Hi High (pH 8-9.5) 1.91 4.87 -7.84 2 4 0 59 251.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.66 4.68 -48.54 3 4 1 60 238.355 4 ↓
Hi High (pH 8-9.5) 1.66 4.29 -7.18 2 4 0 59 237.347 4 ↓
Hi High (pH 8-9.5) 1.66 4.29 -8.59 2 4 0 59 237.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.22 5.45 -48.58 3 4 1 60 252.382 5 ↓
Hi High (pH 8-9.5) 2.22 5.06 -6.91 2 4 0 59 251.374 5 ↓
Hi High (pH 8-9.5) 2.22 5.06 -8.26 2 4 0 59 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-ethyl-2-[(1R,2S)-2-hydroxycyclohexyl]-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) 0.78 2.56 -47.73 4 5 1 81 268.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-ethyl-2-[(1S,2S)-2-hydroxycyclohexyl]-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) 0.78 2.17 -48.12 4 5 1 81 268.381 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-tert-butyl-2-[(1R,2S)-2-hydroxycyclohexyl]-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) 1.61 3.44 -47.28 4 5 1 81 296.435 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-5-tert-butyl-2-[(1S,2S)-2-hydroxycyclohexyl]-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) 1.61 3.05 -47.57 4 5 1 81 296.435 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-[(1R,2S)-2-hydroxycyclohexyl]-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) 1.03 3.14 -47.41 4 5 1 81 282.408 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-2-[(1S,2S)-2-hydroxycyclohexyl]-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) 1.03 2.75 -47.73 4 5 1 81 282.408 5 ↓

Analogs

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Popular Name: (4R)-4-(3-aminopropyl)-2-[(1R,2S)-2-hydroxycyclohexyl]-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) 1.34 3.33 -47.62 4 5 1 81 282.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-2-[(1S,2S)-2-hydroxycyclohexyl]-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) 1.34 2.94 -48.01 4 5 1 81 282.408 6 ↓

Analogs

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

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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) 1.94 5.46 -46.81 3 4 1 60 252.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(3-aminopropyl)-5-tert-butyl-2-cyclohexyl-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) 2.76 6.33 -46.37 3 4 1 60 280.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.18 6.04 -46.45 3 4 1 60 266.409 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.50 6.23 -46.65 3 4 1 60 266.409 6 ↓

Parameters Provided:

ring.id = 264646
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 = 264646 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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