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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-oxaspiro[5.5]undecan-10-one 7-oxaspiro[5.5]undecan-10-one

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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) 1.84 4.79 -4.28 0 2 0 26 168.236 0 ↓

Analogs

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Popular Name: 3-tert-butyl-7-oxaspiro[5.5]undecan-10-one 3-tert-butyl-7-oxaspiro[5.5]unde…

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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) 2.94 6.4 -4.06 0 2 0 26 224.344 1 ↓

Analogs

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Popular Name: (4R,6R)-4-methyl-7-oxaspiro[5.5]undecan-10-one (4R,6R)-4-methyl-7-oxaspiro[5.5]…

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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) 1.85 5.39 -4.2 0 2 0 26 182.263 0 ↓

Analogs

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Popular Name: (4S,6R)-4-methyl-7-oxaspiro[5.5]undecan-10-one (4S,6R)-4-methyl-7-oxaspiro[5.5]…

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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) 1.85 5 -4.25 0 2 0 26 182.263 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6S)-4-methyl-7-oxaspiro[5.5]undecan-10-one (4R,6S)-4-methyl-7-oxaspiro[5.5]…

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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) 1.85 4.99 -4.14 0 2 0 26 182.263 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S)-4-methyl-7-oxaspiro[5.5]undecan-10-one (4S,6S)-4-methyl-7-oxaspiro[5.5]…

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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) 1.85 5.38 -4.19 0 2 0 26 182.263 0 ↓

Analogs

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Popular Name: 3-ethyl-7-oxaspiro[5.5]undecan-10-one 3-ethyl-7-oxaspiro[5.5]undecan-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) 2.30 6.03 -4.22 0 2 0 26 196.29 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R)-5-methyl-7-oxaspiro[5.5]undecan-10-one (5R,6R)-5-methyl-7-oxaspiro[5.5]…

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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) 2.09 5.34 -4.13 0 2 0 26 182.263 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R)-5-methyl-7-oxaspiro[5.5]undecan-10-one (5S,6R)-5-methyl-7-oxaspiro[5.5]…

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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) 2.09 5.04 -4.13 0 2 0 26 182.263 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S)-5-methyl-7-oxaspiro[5.5]undecan-10-one (5R,6S)-5-methyl-7-oxaspiro[5.5]…

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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) 2.09 5.04 -4.13 0 2 0 26 182.263 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S)-5-methyl-7-oxaspiro[5.5]undecan-10-one (5S,6S)-5-methyl-7-oxaspiro[5.5]…

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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) 2.09 5.34 -4.13 0 2 0 26 182.263 0 ↓

Analogs

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Popular Name: (2R,6S)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-one (2R,6S)-2,4,4-trimethyl-7-oxaspi…

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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) 2.50 6.69 -3.93 0 2 0 26 210.317 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-one (2S,6S)-2,4,4-trimethyl-7-oxaspi…

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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) 2.50 6.03 -4.02 0 2 0 26 210.317 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-one (2R,6R)-2,4,4-trimethyl-7-oxaspi…

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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) 2.50 6.02 -3.95 0 2 0 26 210.317 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-one (2S,6R)-2,4,4-trimethyl-7-oxaspi…

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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) 2.50 6.4 -4.05 0 2 0 26 210.317 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-7-oxaspiro[5.5]undecan-10-one 3-isopropyl-7-oxaspiro[5.5]undec…

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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) 3.12 6.48 -4.14 0 2 0 26 210.317 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-propyl-7-oxaspiro[5.5]undecan-10-one 3-propyl-7-oxaspiro[5.5]undecan-…

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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) 2.86 6.42 -4.16 0 2 0 26 210.317 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-7-oxaspiro[5.5]undecan-10-one 3-methyl-7-oxaspiro[5.5]undecan-…

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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) 1.62 5.01 -4.21 0 2 0 26 182.263 0 ↓

Parameters Provided:

ring.id = 480785
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 = 480785 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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