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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: (1S,2R)-2-[4-(3-hydroxypropyl)pyrazol-1-yl]cycloheptanol (1S,2R)-2-[4-(3-hydroxypropyl)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) 1.64 1.62 -9.22 2 4 0 58 238.331 4 ↓

Analogs

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Popular Name: (1S,2S)-2-[4-(3-hydroxypropyl)pyrazol-1-yl]cycloheptanol (1S,2S)-2-[4-(3-hydroxypropyl)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) 1.64 1.72 -9.86 2 4 0 58 238.331 4 ↓

Analogs

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Popular Name: (1R,2R)-2-[4-(3-hydroxypropyl)pyrazol-1-yl]cycloheptanol (1R,2R)-2-[4-(3-hydroxypropyl)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) 1.64 1.65 -9.66 2 4 0 58 238.331 4 ↓

Analogs

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Popular Name: (1R,2S)-2-[4-(3-hydroxypropyl)pyrazol-1-yl]cycloheptanol (1R,2S)-2-[4-(3-hydroxypropyl)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) 1.64 1.66 -7.91 2 4 0 58 238.331 4 ↓

Analogs

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Popular Name: 3-(1-cycloheptylpyrazol-4-yl)propan-1-ol 3-(1-cycloheptylpyrazol-4-yl)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) 2.79 4.85 -6.64 1 3 0 38 222.332 4 ↓

Analogs

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Popular Name: 4-(3-chloropropyl)-1-cycloheptyl-pyrazole 4-(3-chloropropyl)-1-cycloheptyl…

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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) 4.03 8.81 -5.49 0 2 0 18 240.778 4 ↓

Analogs

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Popular Name: 4-(3-bromopropyl)-1-cycloheptyl-pyrazole 4-(3-bromopropyl)-1-cycloheptyl-…

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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) 4.16 8.93 -5.29 0 2 0 18 285.229 4 ↓

Analogs

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Popular Name: 3-(1-cycloheptylpyrazol-4-yl)propan-1-amine 3-(1-cycloheptylpyrazol-4-yl)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) 2.23 5.57 -45.5 3 3 1 45 222.356 4 ↓

Analogs

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Popular Name: 3-(1-cycloheptylpyrazol-4-yl)-N-methyl-propan-1-amine 3-(1-cycloheptylpyrazol-4-yl)-N-…

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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) 3.21 7.45 -40.77 2 3 1 34 236.383 5 ↓

Analogs

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Popular Name: 3-(1-cycloheptylpyrazol-4-yl)-N-ethyl-propan-1-amine 3-(1-cycloheptylpyrazol-4-yl)-N-…

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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) 3.23 8.3 -40.07 2 3 1 34 250.41 6 ↓

Analogs

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Popular Name: 3-(1-cycloheptylpyrazol-4-yl)-N-propyl-propan-1-amine 3-(1-cycloheptylpyrazol-4-yl)-N-…

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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) 3.73 9.06 -41.01 2 3 1 34 264.437 7 ↓

Analogs

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Popular Name: 3-(1-cycloheptylpyrazol-4-yl)-N-isopropyl-propan-1-amine 3-(1-cycloheptylpyrazol-4-yl)-N-…

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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) 3.88 8.84 -39.1 2 3 1 34 264.437 6 ↓

Analogs

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Popular Name: N-[3-(1-cycloheptylpyrazol-4-yl)propyl]-2-methyl-propan-2-amine N-[3-(1-cycloheptylpyrazol-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) 4.39 9.27 -37.85 2 3 1 34 278.464 6 ↓

Analogs

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Popular Name: N-[3-(1-cycloheptylpyrazol-4-yl)propyl]-2-methyl-propan-1-amine N-[3-(1-cycloheptylpyrazol-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) 3.98 9.74 -41.21 2 3 1 34 278.464 7 ↓

Analogs

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Popular Name: 3-(1-cycloheptylpyrazol-4-yl)-N-(2-methoxyethyl)propan-1-amine 3-(1-cycloheptylpyrazol-4-yl)-N-…

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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) 2.84 7.44 -40.72 2 4 1 44 280.436 8 ↓

Analogs

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Popular Name: 1-cycloheptyl-3-[(1S)-1-methylbut-3-enyl]pyrazole-4-carbaldehyde 1-cycloheptyl-3-[(1S)-1-methylbu…

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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 8.83 -6.38 0 3 0 35 260.381 5 ↓

Analogs

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Popular Name: 1-cycloheptyl-3-[(1R)-1-methylbut-3-enyl]pyrazole-4-carbaldehyde 1-cycloheptyl-3-[(1R)-1-methylbu…

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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 8.79 -6.15 0 3 0 35 260.381 5 ↓

Analogs

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Popular Name: 5-chloro-1-cycloheptyl-3-propyl-pyrazole-4-carboxylic 5-chloro-1-cycloheptyl-3-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) 4.40 9.08 -46.32 0 4 -1 58 283.779 4 ↓

Parameters Provided:

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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 = 137532 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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