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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: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]-1-piperidyl]acetamide N-[(1S)-1-cyano-1,2-dimethyl-pro…

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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 4.33 -58.05 3 7 1 95 348.471 7 ↓
Mid Mid (pH 6-8) 1.34 2.16 -18.1 2 7 0 94 347.463 7 ↓

Analogs

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Popular Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]-1-piperidyl]acetamide N-[(1R)-1-cyano-1,2-dimethyl-pro…

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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 4.24 -57.7 3 7 1 95 348.471 7 ↓
Mid Mid (pH 6-8) 1.34 2.05 -17.42 2 7 0 94 347.463 7 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]-1-piperidyl]acetamide N-(2-cyanoethyl)-2-[4-[2-(2-hydr…

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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) -0.54 2.95 -60.44 3 7 1 95 306.39 7 ↓
Hi High (pH 8-9.5) -0.54 0.78 -19.42 2 7 0 94 305.382 7 ↓

Analogs

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Popular Name: 2-[5-[1-(2-methylsulfonylethyl)-4-piperidyl]pyrazol-1-yl]ethanol 2-[5-[1-(2-methylsulfonylethyl)-…

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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 1.3 -59.51 2 6 1 77 302.42 6 ↓
Mid Mid (pH 6-8) -0.20 -0.92 -16.36 1 6 0 75 301.412 6 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]-1-piperidyl]-N-methyl-acetamide N-(2-cyanoethyl)-2-[4-[2-(2-hydr…

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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) -0.80 4.9 -58.73 2 7 1 87 320.417 7 ↓
Hi High (pH 8-9.5) -0.80 2.7 -17.01 1 7 0 85 319.409 7 ↓

Analogs

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Popular Name: 1-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)piperidine 1-(2-methoxyethyl)-4-(2-methylpy…

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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) 1.01 5.55 -41.59 1 4 1 31 224.328 4 ↓
Hi High (pH 8-9.5) 1.01 3.28 -6.81 0 4 0 30 223.32 4 ↓

Analogs

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Popular Name: 1-ethyl-4-(2-propylpyrazol-3-yl)piperidin-4-ol 1-ethyl-4-(2-propylpyrazol-3-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) 1.71 4.95 -39.99 2 4 1 42 238.355 4 ↓
Hi High (pH 8-9.5) 1.71 2.74 -4.75 1 4 0 41 237.347 4 ↓

Analogs

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Popular Name: 1-propyl-4-(2-propylpyrazol-3-yl)piperidin-4-ol 1-propyl-4-(2-propylpyrazol-3-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) 2.21 5.7 -40.7 2 4 1 42 252.382 5 ↓
Hi High (pH 8-9.5) 2.21 3.49 -4.62 1 4 0 41 251.374 5 ↓

Analogs

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Popular Name: 4-(2-ethylpyrazol-3-yl)-1-propyl-piperidin-4-ol 4-(2-ethylpyrazol-3-yl)-1-propyl…

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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) 1.71 4.84 -40.09 2 4 1 42 238.355 4 ↓
Hi High (pH 8-9.5) 1.71 2.61 -4.65 1 4 0 41 237.347 4 ↓

Analogs

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Popular Name: 1-isopropyl-4-(2-propylpyrazol-3-yl)piperidin-4-ol 1-isopropyl-4-(2-propylpyrazol-3…

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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) 2.00 5.48 -38.39 2 4 1 42 252.382 4 ↓
Hi High (pH 8-9.5) 2.00 3.3 -4.63 1 4 0 41 251.374 4 ↓

Analogs

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Popular Name: 4-(2-ethylpyrazol-3-yl)-1-isopropyl-piperidin-4-ol 4-(2-ethylpyrazol-3-yl)-1-isopro…

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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) 1.50 4.71 -38.26 2 4 1 42 238.355 3 ↓
Hi High (pH 8-9.5) 1.50 2.51 -4.85 1 4 0 41 237.347 3 ↓

Analogs

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Popular Name: 1-[4-(3-isopropyl-1H-pyrazol-5-yl)-1-piperidyl]-3-methyl-but-2-en-1-one 1-[4-(3-isopropyl-1H-pyrazol-5-y…

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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) 3.24 7.54 -10.07 1 4 0 49 275.396 3 ↓

Analogs

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Popular Name: 3-(1-tert-butoxycarbonyl-4-piperidyl)-5-methyl-1H-pyrazole-4-carboxylic 3-(1-tert-butoxycarbonyl-4-piper…

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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 6.45 -46.43 1 7 -1 98 308.358 4 ↓

Parameters Provided:

ring.id = 180940
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 = 180940 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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