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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: tert-Butyl 4-[2-(4-Amino-1H-pyrazol-1-yl)ethyl]piperazine-1-carboxylate tert-Butyl 4-[2-(4-Amino-1H-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) 0.75 2.64 -9.34 2 7 0 77 295.387 5 ↓
Mid Mid (pH 6-8) 0.75 4.84 -46.75 3 7 1 78 296.395 5 ↓

Analogs

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Popular Name: 1-(2,2-difluoroethyl)-4-(2-pyrazol-1-ylethyl)piperazine 1-(2,2-difluoroethyl)-4-(2-pyraz…

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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) 0.88 2.66 -8.69 0 4 0 24 244.289 5 ↓
Mid Mid (pH 6-8) 0.88 4.93 -41.14 1 4 1 26 245.297 5 ↓

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine (2S,6R)-2,6-dimethyl-1-(2-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) 0.37 2.41 -45.07 2 4 1 38 209.317 3 ↓
Hi High (pH 8-9.5) 0.37 1.09 -4.78 1 4 0 33 208.309 3 ↓

Analogs

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Popular Name: (2S,6S)-2,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine (2S,6S)-2,6-dimethyl-1-(2-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) 0.37 2.65 -43.33 2 4 1 38 209.317 3 ↓
Hi High (pH 8-9.5) 0.37 1.47 -5.39 1 4 0 33 208.309 3 ↓

Analogs

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Popular Name: (2R,6R)-2,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine (2R,6R)-2,6-dimethyl-1-(2-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) 0.37 2.65 -42.23 2 4 1 38 209.317 3 ↓
Hi High (pH 8-9.5) 0.37 1.5 -5.23 1 4 0 33 208.309 3 ↓

Analogs

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Popular Name: 1-isopentyl-4-(2-pyrazol-1-ylethyl)piperazine 1-isopentyl-4-(2-pyrazol-1-yleth…

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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) 1.96 6.58 -38.07 1 4 1 26 251.398 6 ↓
Hi High (pH 8-9.5) 1.96 4.31 -5.18 0 4 0 24 250.39 6 ↓

Analogs

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Popular Name: 1-[2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]ethyl]pyrazol-4-amine 1-[2-[4-[(1R)-1-methylpropyl]pip…

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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 3.5 -34.22 3 5 1 52 252.386 5 ↓
Hi High (pH 8-9.5) 0.93 1.56 -4.87 2 5 0 50 251.378 5 ↓

Analogs

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Popular Name: 1-[2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]ethyl]pyrazol-4-amine 1-[2-[4-[(1S)-1-methylpropyl]pip…

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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 3.5 -35.15 3 5 1 52 252.386 5 ↓
Hi High (pH 8-9.5) 0.93 1.59 -5.02 2 5 0 50 251.378 5 ↓

Analogs

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Popular Name: 1-[2-(4-isobutylpiperazin-1-yl)ethyl]pyrazol-4-amine 1-[2-(4-isobutylpiperazin-1-yl)e…

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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 3.84 -36.2 3 5 1 52 252.386 5 ↓
Hi High (pH 8-9.5) 0.84 1.86 -4.92 2 5 0 50 251.378 5 ↓

Analogs

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Popular Name: tert-Butyl 4-[2-(4-Bromo-1H-pyrazol-1-yl)ethyl]piperazine-1-carboxylate tert-Butyl 4-[2-(4-Bromo-1H-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) 2.08 5.39 -8.86 0 6 0 51 359.268 5 ↓
Mid Mid (pH 6-8) 2.08 7.59 -49.84 1 6 1 52 360.276 5 ↓

Analogs

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Popular Name: 3-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-amine 3-[4-(2-pyrazol-1-ylethyl)pipera…

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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 2.66 -109.76 4 5 2 53 239.367 6 ↓
Hi High (pH 8-9.5) -0.62 0.01 -5.99 2 5 0 50 237.351 6 ↓
Mid Mid (pH 6-8) -0.62 0.38 -46.58 3 5 1 52 238.359 6 ↓

Analogs

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Popular Name: 4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butan-1-amine 4-[4-(2-pyrazol-1-ylethyl)pipera…

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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 3.44 -101.65 4 5 2 53 253.394 7 ↓
Hi High (pH 8-9.5) -0.35 1.17 -46.12 3 5 1 52 252.386 7 ↓
Mid Mid (pH 6-8) -0.35 3.45 -91.9 4 5 2 53 253.394 7 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-amine (2S)-2-methyl-3-[4-(2-pyrazol-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) -0.14 3.39 -110.87 4 5 2 53 253.394 6 ↓
Hi High (pH 8-9.5) -0.14 1.03 -5.7 2 5 0 50 251.378 6 ↓
Mid Mid (pH 6-8) -0.14 3.67 -95.87 4 5 2 53 253.394 6 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propan-1-amine (2R)-2-methyl-3-[4-(2-pyrazol-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) -0.14 3.38 -108.71 4 5 2 53 253.394 6 ↓
Hi High (pH 8-9.5) -0.14 1.1 -5.79 2 5 0 50 251.378 6 ↓
Mid Mid (pH 6-8) -0.14 3.78 -94.82 4 5 2 53 253.394 6 ↓

Analogs

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Popular Name: 5-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pentan-1-amine 5-[4-(2-pyrazol-1-ylethyl)pipera…

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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) 0.16 4.22 -96.17 4 5 2 53 267.421 8 ↓
Hi High (pH 8-9.5) 0.16 1.95 -45.6 3 5 1 52 266.413 8 ↓

Analogs

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Popular Name: (3S)-3-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pentan-1-amine (3S)-3-[4-(2-pyrazol-1-ylethyl)p…

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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 3.49 -113.75 4 5 2 53 267.421 7 ↓
Hi High (pH 8-9.5) 0.25 1.33 -5.37 2 5 0 50 265.405 7 ↓
Mid Mid (pH 6-8) 0.25 3.96 -98.1 4 5 2 53 267.421 7 ↓

Analogs

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Popular Name: (3R)-3-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]pentan-1-amine (3R)-3-[4-(2-pyrazol-1-ylethyl)p…

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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 3.47 -114.49 4 5 2 53 267.421 7 ↓
Hi High (pH 8-9.5) 0.25 1.33 -5.87 2 5 0 50 265.405 7 ↓
Mid Mid (pH 6-8) 0.25 3.98 -99.07 4 5 2 53 267.421 7 ↓

Analogs

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Popular Name: 2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]acetic 2-[4-(2-pyrazol-1-ylethyl)pipera…

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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) -1.36 4.56 -35.15 1 6 0 66 238.291 5 ↓
Mid Mid (pH 6-8) -1.36 4.65 -60.39 1 6 0 66 238.291 5 ↓
Mid Mid (pH 6-8) -1.36 2.37 -48.27 0 6 -1 64 237.283 5 ↓

Analogs

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Popular Name: 3-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanoic 3-[4-(2-pyrazol-1-ylethyl)pipera…

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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) -0.17 5.2 -47.58 1 6 0 66 252.318 6 ↓
Hi High (pH 8-9.5) -0.17 2.92 -46.73 0 6 -1 64 251.31 6 ↓

Parameters Provided:

ring.id = 76673
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 = 76673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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