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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: 6-isopropyl-1-oxaspiro[2.5]octane 6-isopropyl-1-oxaspiro[2.5]octane

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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) 3.41 4.85 -3.03 0 1 0 13 154.253 1 ↓

Analogs

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Popular Name: 6-(1,1-dimethylpropyl)-1-oxaspiro[2.5]octane 6-(1,1-dimethylpropyl)-1-oxaspir…

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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) 3.57 5.62 -3.04 0 1 0 13 182.307 2 ↓

Analogs

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Popular Name: 6-ethyl-1-oxaspiro[2.5]octane 6-ethyl-1-oxaspiro[2.5]octane

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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) 2.59 4.37 -3.09 0 1 0 13 140.226 1 ↓

Analogs

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Popular Name: (3S,8R)-8-methyl-1-oxaspiro[2.5]octane (3S,8R)-8-methyl-1-oxaspiro[2.5]…

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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) 2.38 3.75 -3.58 0 1 0 13 126.199 0 ↓

Analogs

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Popular Name: (3S,8S)-8-methyl-1-oxaspiro[2.5]octane (3S,8S)-8-methyl-1-oxaspiro[2.5]…

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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) 2.38 3.55 -3.72 0 1 0 13 126.199 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,8R)-8-methyl-1-oxaspiro[2.5]octane (3R,8R)-8-methyl-1-oxaspiro[2.5]…

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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) 2.38 3.55 -3.73 0 1 0 13 126.199 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,8S)-8-methyl-1-oxaspiro[2.5]octane (3R,8S)-8-methyl-1-oxaspiro[2.5]…

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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) 2.38 3.75 -3.58 0 1 0 13 126.199 0 ↓

Analogs

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Popular Name: (3S,8S)-8-tert-butyl-1-oxaspiro[2.5]octane (3S,8S)-8-tert-butyl-1-oxaspiro[…

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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) 3.70 5.59 -2.77 0 1 0 13 168.28 1 ↓

Analogs

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Popular Name: (3S,8R)-8-tert-butyl-1-oxaspiro[2.5]octane (3S,8R)-8-tert-butyl-1-oxaspiro[…

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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) 3.70 5.46 -2.81 0 1 0 13 168.28 1 ↓

Analogs

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Popular Name: (3R,8S)-8-tert-butyl-1-oxaspiro[2.5]octane (3R,8S)-8-tert-butyl-1-oxaspiro[…

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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) 3.70 5.44 -2.84 0 1 0 13 168.28 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,8R)-8-tert-butyl-1-oxaspiro[2.5]octane (3R,8R)-8-tert-butyl-1-oxaspiro[…

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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) 3.70 5.57 -2.74 0 1 0 13 168.28 1 ↓

Analogs

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Popular Name: (3R,7R)-7-methyl-1-oxaspiro[2.5]octane (3R,7R)-7-methyl-1-oxaspiro[2.5]…

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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) 2.14 3.74 -3.73 0 1 0 13 126.199 0 ↓

Analogs

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Popular Name: (3R,7S)-7-methyl-1-oxaspiro[2.5]octane (3R,7S)-7-methyl-1-oxaspiro[2.5]…

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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) 2.14 3.74 -3.16 0 1 0 13 126.199 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7R)-7-methyl-1-oxaspiro[2.5]octane (3S,7R)-7-methyl-1-oxaspiro[2.5]…

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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) 2.14 3.74 -3.16 0 1 0 13 126.199 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7S)-7-methyl-1-oxaspiro[2.5]octane (3S,7S)-7-methyl-1-oxaspiro[2.5]…

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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) 2.14 3.74 -3.75 0 1 0 13 126.199 0 ↓

Analogs

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Popular Name: (3S,4R,7R)-4-isopropyl-7-methyl-1-oxaspiro[2.5]octane (3S,4R,7R)-4-isopropyl-7-methyl-…

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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 5.55 -2.51 0 1 0 13 168.28 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R,7S)-4-isopropyl-7-methyl-1-oxaspiro[2.5]octane (3S,4R,7S)-4-isopropyl-7-methyl-…

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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 5.77 -2.5 0 1 0 13 168.28 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S,7S)-4-isopropyl-7-methyl-1-oxaspiro[2.5]octane (3S,4S,7S)-4-isopropyl-7-methyl-…

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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 5.61 -2.32 0 1 0 13 168.28 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-1-oxaspiro[2.5]octane 6-methyl-1-oxaspiro[2.5]octane

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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) 1.91 3.73 -3.1 0 1 0 13 126.199 0 ↓

Analogs

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Popular Name: 6-propyl-1-oxaspiro[2.5]octane 6-propyl-1-oxaspiro[2.5]octane

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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) 3.15 5.13 -3.08 0 1 0 13 154.253 2 ↓

Parameters Provided:

ring.id = 384502
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 = 384502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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