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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: (2S)-2-(3-pyrazol-1-ylazetidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (2S)-2-(3-pyrazol-1-ylazetidin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 4.22 -47.18 2 5 1 51 277.27 5 ↓
Mid Mid (pH 6-8) 0.63 1.17 -11.96 1 5 0 50 276.262 5 ↓

Analogs

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Popular Name: (2R)-2-(3-pyrazol-1-ylazetidin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (2R)-2-(3-pyrazol-1-ylazetidin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 4.22 -48.71 2 5 1 51 277.27 5 ↓
Mid Mid (pH 6-8) 0.63 1.34 -12.87 1 5 0 50 276.262 5 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-4-methyl-1H-pyrazole 1-(azetidin-3-yl)-4-methyl-1H-py…

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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) 0.40 2.16 -45.93 2 3 1 34 138.194 1 ↓
Hi High (pH 8-9.5) 0.40 0.48 -5.26 1 3 0 30 137.186 1 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-4-chloro-pyrazole 1-(azetidin-3-yl)-4-chloro-pyrazole

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 1.99 -47.49 2 3 1 34 158.612 1 ↓
Hi High (pH 8-9.5) 0.63 0.31 -4.46 1 3 0 30 157.604 1 ↓

Analogs

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Popular Name: 1-azetidin-3-yl-4-bromo-1H-pyrazole 1-azetidin-3-yl-4-bromo-1H-pyrazole

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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 2.1 -47.47 2 3 1 34 203.063 1 ↓
Hi High (pH 8-9.5) 0.76 0.41 -4.38 1 3 0 30 202.055 1 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-3,4,5-trimethyl-pyrazole 1-(azetidin-3-yl)-3,4,5-trimethy…

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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 3.56 -37.63 2 3 1 34 166.248 1 ↓
Hi High (pH 8-9.5) 0.84 1.8 -8.67 1 3 0 30 165.24 1 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-4-ethyl-3,5-dimethyl-pyrazole 1-(azetidin-3-yl)-4-ethyl-3,5-di…

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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) 1.31 4.11 -40.96 2 3 1 34 180.275 2 ↓
Hi High (pH 8-9.5) 1.31 2.43 -4.98 1 3 0 30 179.267 2 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-3-(trifluoromethyl)pyrazole 1-(azetidin-3-yl)-3-(trifluorome…

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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 2.44 -52.39 2 3 1 34 192.164 2 ↓
Hi High (pH 8-9.5) 1.16 0.75 -6.73 1 3 0 30 191.156 2 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-4-nitro-pyrazole 1-(azetidin-3-yl)-4-nitro-pyrazole

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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) -0.09 2.24 -56.39 2 6 1 80 169.164 2 ↓
Hi High (pH 8-9.5) -0.09 0.56 -7.16 1 6 0 76 168.156 2 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-3,5-dimethyl-4-nitro-pyrazole 1-(azetidin-3-yl)-3,5-dimethyl-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) 0.35 3.57 -51.16 2 6 1 80 197.218 2 ↓
Hi High (pH 8-9.5) 0.35 1.88 -6.59 1 6 0 76 196.21 2 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-3-nitro-pyrazole 1-(azetidin-3-yl)-3-nitro-pyrazole

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.10 3.2 -60.91 2 6 1 80 169.164 2 ↓
Hi High (pH 8-9.5) 0.10 1.51 -10.72 1 6 0 76 168.156 2 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-4-bromo-3-nitro-pyrazole 1-(azetidin-3-yl)-4-bromo-3-nitr…

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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 3.74 -61.26 2 6 1 80 248.06 2 ↓
Hi High (pH 8-9.5) 0.84 2.05 -9.26 1 6 0 76 247.052 2 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-4-chloro-3,5-dimethyl-pyrazole 1-(azetidin-3-yl)-4-chloro-3,5-d…

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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 3.26 -43.66 2 3 1 34 186.666 1 ↓
Hi High (pH 8-9.5) 1.07 1.58 -4.45 1 3 0 30 185.658 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(azetidin-3-yl)-4-bromo-3,5-dimethyl-pyrazole 1-(azetidin-3-yl)-4-bromo-3,5-di…

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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) 1.20 3.35 -43.71 2 3 1 34 231.117 1 ↓
Hi High (pH 8-9.5) 1.20 1.66 -4.46 1 3 0 30 230.109 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-1-[1-(2-methylsulfonylethyl)azetidin-3-yl]pyrazole 3,5-dimethyl-1-[1-(2-methylsulfo…

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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) 0.11 0.4 -16.73 0 5 0 55 257.359 4 ↓
Lo Low (pH 4.5-6) 0.11 0.53 -36.2 1 5 1 56 258.367 4 ↓
Lo Low (pH 4.5-6) 0.11 3.44 -54.07 1 5 1 56 258.367 4 ↓

Analogs

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Popular Name: 4-methyl-1-[1-[2-(trifluoromethylsulfonyl)ethyl]azetidin-3-yl]pyrazole 4-methyl-1-[1-[2-(trifluoromethy…

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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) 3.59 0.4 -12.18 0 5 0 55 297.302 5 ↓
Lo Low (pH 4.5-6) 3.59 3.42 -61.64 1 5 1 56 298.31 5 ↓

Analogs

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Popular Name: 4-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]butanenitrile 4-[3-(4-methylpyrazol-1-yl)azeti…

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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) 0.37 3.55 -12.01 0 4 0 45 204.277 4 ↓
Lo Low (pH 4.5-6) 0.37 6.56 -56.59 1 4 1 46 205.285 4 ↓

Analogs

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Popular Name: N,N-dimethyl-3-(3-pyrazol-1-ylazetidin-1-yl)propane-1-sulfonamide N,N-dimethyl-3-(3-pyrazol-1-ylaz…

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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) -0.06 0.22 -15.23 0 6 0 58 272.374 6 ↓
Mid Mid (pH 6-8) -0.06 3.34 -57.33 1 6 1 60 273.382 6 ↓

Analogs

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Popular Name: (3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]butanenitrile (3S)-3-[3-(3,5-dimethylpyrazol-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.50 3.64 -10.4 0 4 0 45 218.304 3 ↓
Lo Low (pH 4.5-6) 0.50 3.76 -29.68 1 4 1 46 219.312 3 ↓
Lo Low (pH 4.5-6) 0.50 6.62 -44.89 1 4 1 46 219.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]butanenitrile (3R)-3-[3-(3,5-dimethylpyrazol-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.50 3.61 -11.06 0 4 0 45 218.304 3 ↓
Lo Low (pH 4.5-6) 0.50 3.74 -28.6 1 4 1 46 219.312 3 ↓
Lo Low (pH 4.5-6) 0.50 6.56 -46.3 1 4 1 46 219.312 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-1-[1-[2-(trifluoromethylsulfonyl)ethyl]azetidin-3-yl]pyrazole 3,5-dimethyl-1-[1-[2-(trifluorom…

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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) 3.66 1 -12.25 0 5 0 55 311.329 5 ↓
Lo Low (pH 4.5-6) 3.66 1.12 -36.81 1 5 1 56 312.337 5 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-4-chloro-3-nitro-pyrazole 1-(azetidin-3-yl)-4-chloro-3-nit…

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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) 0.71 3.65 -61.72 2 6 1 80 203.609 2 ↓
Hi High (pH 8-9.5) 0.71 1.97 -9.43 1 6 0 76 202.601 2 ↓

Analogs

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Popular Name: 1-(azetidin-3-yl)-4-methyl-3-nitro-pyrazole 1-(azetidin-3-yl)-4-methyl-3-nit…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 3.77 -61.08 2 6 1 80 183.191 2 ↓
Hi High (pH 8-9.5) 0.48 2.08 -10.75 1 6 0 76 182.183 2 ↓

Analogs

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Popular Name: (2R)-2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]pentanedinitrile (2R)-2-[[3-(3,5-dimethylpyrazol-…

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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) 0.59 5.26 -15.28 0 5 0 69 257.341 5 ↓
Lo Low (pH 4.5-6) 0.59 5.39 -43.2 1 5 1 70 258.349 5 ↓

Analogs

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Popular Name: (2S)-2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]pentanedinitrile (2S)-2-[[3-(3,5-dimethylpyrazol-…

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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) 0.59 4.89 -15.93 0 5 0 69 257.341 5 ↓
Lo Low (pH 4.5-6) 0.59 5.01 -38.55 1 5 1 70 258.349 5 ↓

Analogs

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Popular Name: 3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-ethyl-propanamide 3-[3-(3,5-dimethylpyrazol-1-yl)a…

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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) 0.46 1.81 -12.18 1 5 0 50 250.346 5 ↓
Mid Mid (pH 6-8) 0.46 4.99 -46.58 2 5 1 51 251.354 5 ↓

Analogs

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Popular Name: 2-methyl-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]propan-2-ol 2-methyl-1-[3-(4-methylpyrazol-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.82 3.28 -43.01 2 4 1 42 210.301 3 ↓
Mid Mid (pH 6-8) 0.82 0.32 -6.93 1 4 0 41 209.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propanamide 3-[3-(3,5-dimethylpyrazol-1-yl)a…

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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) -0.29 -0.33 -12.59 2 5 0 64 222.292 4 ↓
Mid Mid (pH 6-8) -0.29 2.7 -46.89 3 5 1 65 223.3 4 ↓

Analogs

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Popular Name: N,N-bis(cyanomethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propanamide N,N-bis(cyanomethyl)-3-[3-(3,5-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.10 4.6 -21.36 0 7 0 89 300.366 6 ↓
Mid Mid (pH 6-8) -0.10 7.63 -60.2 1 7 1 90 301.374 6 ↓

Parameters Provided:

ring.id = 364876
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 = 364876 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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