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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: 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) 3.60 12.33 -11.36 0 6 0 64 397.519 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) 3.60 12.44 -12.3 0 6 0 64 397.519 7 ↓

Analogs

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Popular Name: [1-(2-chlorophenyl)-5-ethyl-3-isobutyl-pyrazol-4-yl]-(1-piperidyl)methanone [1-(2-chlorophenyl)-5-ethyl-3-is…

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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) 4.64 12.27 -11.93 0 4 0 38 373.928 5 ↓

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) 4.74 13.63 -13.14 0 6 0 64 445.991 8 ↓

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) 4.74 13.63 -12.85 0 6 0 64 445.991 8 ↓

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) 3.78 12.96 -11.17 0 6 0 64 411.546 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) 3.78 13.14 -12.24 0 6 0 64 411.546 7 ↓

Analogs

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Popular Name: [1-(3-chlorophenyl)-3-isobutyl-5-methyl-pyrazol-4-yl]-(1-piperidyl)methanone [1-(3-chlorophenyl)-3-isobutyl-5…

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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) 4.09 11.38 -9.88 0 4 0 38 359.901 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) 4.20 12.91 -11.57 0 6 0 64 431.964 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) 4.20 12.81 -12.73 0 6 0 64 431.964 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) 3.49 12.35 -10.79 0 6 0 64 415.509 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) 3.49 12.52 -11.91 0 6 0 64 415.509 7 ↓

Analogs

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Popular Name: [3-isobutyl-5-methyl-1-(o-tolyl)pyrazol-4-yl]-(1-piperidyl)methanone [3-isobutyl-5-methyl-1-(o-tolyl)…

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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) 3.84 11.64 -8.6 0 4 0 38 339.483 4 ↓

Analogs

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Popular Name: [3-isobutyl-5-isopropyl-1-(p-tolyl)pyrazol-4-yl]-(1-piperidyl)methanone [3-isobutyl-5-isopropyl-1-(p-tol…

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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) 4.73 12.59 -8.73 0 4 0 38 367.537 5 ↓

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) 5.25 14.03 -9.34 0 6 0 64 460.018 8 ↓

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) 5.25 14.04 -9.51 0 6 0 64 460.018 8 ↓

Analogs

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Popular Name: [3-isobutyl-1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-(1-piperidyl)methanone [3-isobutyl-1-(4-methoxyphenyl)-…

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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) 3.28 10.17 -10.02 0 5 0 47 355.482 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(4-chlorophenyl)-3-isobutyl-5-methyl-pyrazol-4-yl]-(1-piperidyl)methanone [1-(4-chlorophenyl)-3-isobutyl-5…

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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) 3.90 11.39 -8.6 0 4 0 38 359.901 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) 4.01 12.92 -10.46 0 6 0 64 431.964 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) 4.01 12.82 -10.86 0 6 0 64 431.964 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-isobutyl-5-methyl-1-(m-tolyl)pyrazol-4-yl]-(1-piperidyl)methanone [3-isobutyl-5-methyl-1-(m-tolyl)…

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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) 3.86 11.36 -8.98 0 4 0 38 339.483 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) 3.97 13.06 -11.44 0 6 0 64 411.546 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) 3.97 12.96 -11.87 0 6 0 64 411.546 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) 4.74 13.62 -12.24 0 6 0 64 443.563 8 ↓

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) 4.74 13.61 -12.43 0 6 0 64 443.563 8 ↓

Analogs

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Popular Name: [5-ethyl-3-isopropyl-1-(m-tolyl)pyrazol-4-yl]-(1-piperidyl)methanone [5-ethyl-3-isopropyl-1-(m-tolyl)…

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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) 4.17 11.35 -9.98 0 4 0 38 339.483 4 ↓

Analogs

6771032
6771032
6771031
6771031

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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) 4.28 12.88 -11.63 0 6 0 64 411.546 7 ↓

Analogs

6771032
6771032
6771031
6771031

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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) 4.28 12.88 -11.53 0 6 0 64 411.546 7 ↓

Analogs

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Popular Name: 4-hydroxy-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic 4-hydroxy-1-[1-(2-methoxyphenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.15 5.25 -52.54 1 8 -1 108 344.347 4 ↓

Analogs

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Popular Name: (3-methyl-1-phenyl-pyrazol-4-yl)-(1-piperidyl)methanone (3-methyl-1-phenyl-pyrazol-4-yl)…

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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) 1.69 1.08 -11.53 0 4 0 38 269.348 2 ↓

Analogs

12022402
12022402

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Popular Name: (3-methyl-1-phenyl-pyrazol-4-yl)-[(2R)-2-methyl-1-piperidyl]methanone (3-methyl-1-phenyl-pyrazol-4-yl)…

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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 1.26 -10.68 0 4 0 38 283.375 2 ↓

Analogs

12022397
12022397

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Popular Name: (3-methyl-1-phenyl-pyrazol-4-yl)-[(2S)-2-methyl-1-piperidyl]methanone (3-methyl-1-phenyl-pyrazol-4-yl)…

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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 1.24 -10.57 0 4 0 38 283.375 2 ↓

Analogs

12022416
12022416
12022493
12022493
12022509
12022509
13809491
13809491

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Popular Name: (3-methyl-1-phenyl-pyrazol-4-yl)-[(3R)-3-methyl-1-piperidyl]methanone (3-methyl-1-phenyl-pyrazol-4-yl)…

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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) 1.93 1.39 -11.42 0 4 0 38 283.375 2 ↓

Analogs

12022493
12022493
12022509
12022509
13809491
13809491
12022408
12022408

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Popular Name: (3-methyl-1-phenyl-pyrazol-4-yl)-[(3S)-3-methyl-1-piperidyl]methanone (3-methyl-1-phenyl-pyrazol-4-yl)…

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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) 1.93 1.38 -11.4 0 4 0 38 283.375 2 ↓

Analogs

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Popular Name: (3-methyl-1-phenyl-pyrazol-4-yl)-(4-methyl-1-piperidyl)methanone (3-methyl-1-phenyl-pyrazol-4-yl)…

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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) 1.93 1.49 -11.18 0 4 0 38 283.375 2 ↓

Analogs

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Popular Name: (4-hydroxy-1-piperidyl)-(3-methyl-1-phenyl-pyrazol-4-yl)methanone (4-hydroxy-1-piperidyl)-(3-methy…

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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) -0.20 -1.66 -14.12 1 5 0 58 285.347 2 ↓

Analogs

12022509
12022509
13809491
13809491
12022408
12022408
12022416
12022416

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,5R)-3,5-dimethyl-1-piperidyl]-(3-methyl-1-phenyl-pyrazol-4-yl)methanone [(3R,5R)-3,5-dimethyl-1-piperidy…

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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) 2.40 2.17 -10.98 0 4 0 38 297.402 2 ↓

Analogs

13809491
13809491
12022408
12022408
12022416
12022416
12022493
12022493

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,5S)-3,5-dimethyl-1-piperidyl]-(3-methyl-1-phenyl-pyrazol-4-yl)methanone [(3S,5S)-3,5-dimethyl-1-piperidy…

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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) 2.40 2.18 -11.25 0 4 0 38 297.402 2 ↓

Analogs

20893328
20893328
20898282
20898282
20898284
20898284
20898287
20898287

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Popular Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[(3R)-3-methyl-1-piperidyl]methanone (3,5-dimethyl-1-phenyl-pyrazol-4…

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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) 2.15 9.33 -11.04 0 4 0 38 297.402 2 ↓

Analogs

20898282
20898282
20898284
20898284
20898287
20898287
20893326
20893326

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[(3S)-3-methyl-1-piperidyl]methanone (3,5-dimethyl-1-phenyl-pyrazol-4…

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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) 2.15 9.36 -10.96 0 4 0 38 297.402 2 ↓

Analogs

20898284
20898284
20898287
20898287
20893326
20893326
20893328
20893328

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[(3R,5R)-3,5-dimethyl-1-piperidyl]methanone (3,5-dimethyl-1-phenyl-pyrazol-4…

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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) 2.62 10.17 -10.6 0 4 0 38 311.429 2 ↓

Analogs

20898287
20898287
20893326
20893326
20893328
20893328
20898282
20898282

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[(3S,5R)-3,5-dimethyl-1-piperidyl]methanone (3,5-dimethyl-1-phenyl-pyrazol-4…

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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) 2.62 9.91 -10.02 0 4 0 38 311.429 2 ↓

Analogs

20893326
20893326
20893328
20893328
20898282
20898282
20898284
20898284

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[(3S,5S)-3,5-dimethyl-1-piperidyl]methanone (3,5-dimethyl-1-phenyl-pyrazol-4…

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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) 2.62 10.18 -10.02 0 4 0 38 311.429 2 ↓

Analogs

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Popular Name: N-[(3R)-1-[1-(3-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]-3-piperidyl]butanamide N-[(3R)-1-[1-(3-chlorophenyl)-5-…

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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) 2.58 8.48 -19.11 1 6 0 67 388.899 5 ↓

Analogs

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Popular Name: N-[(3S)-1-[1-(3-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]-3-piperidyl]butanamide N-[(3S)-1-[1-(3-chlorophenyl)-5-…

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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) 2.58 8.48 -16.02 1 6 0 67 388.899 5 ↓

Analogs

25921733
25921733
26068423
26068423
26068427
26068427

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Popular Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[(3S)-3-(dimethylamino)-1-piperidyl]methanone [1-(4-bromophenyl)-5-methyl-pyra…

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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) 2.01 9.58 -40.83 1 5 1 43 392.321 3 ↓

Analogs

25921733
25921733
26068423
26068423
26068427
26068427

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[(3R)-3-(dimethylamino)-1-piperidyl]methanone [1-(4-bromophenyl)-5-methyl-pyra…

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Activity (Go SEA)

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) 2.01 9.59 -44.58 1 5 1 43 392.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-6-methyl-piperidine-3-carboxamide (3S,6R)-1-[1-(2-chlorophenyl)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) 1.23 5.45 -13.76 2 6 0 81 346.818 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-6-methyl-piperidine-3-carboxamide (3S,6S)-1-[1-(2-chlorophenyl)pyr…

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Activity (Go SEA)

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) 1.23 5.53 -13.34 2 6 0 81 346.818 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-6-methyl-piperidine-3-carboxamide (3R,6R)-1-[1-(2-chlorophenyl)pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.23 5.49 -13.17 2 6 0 81 346.818 3 ↓

Parameters Provided:

ring.id = 20785
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 = 20785 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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