UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-propyl-7-oxaspiro[5.5]undec-8-en-10-one 3-propyl-7-oxaspiro[5.5]undec-8-…

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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) 2.77 6.76 -6.97 0 2 0 26 208.301 2 ↓

Analogs

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Popular Name: (2R,6S)-2,4,4-trimethyl-7-oxaspiro[5.5]undec-8-en-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) 2.41 6.67 -6.65 0 2 0 26 208.301 0 ↓

Analogs

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Popular Name: (2S,6S)-2,4,4-trimethyl-7-oxaspiro[5.5]undec-8-en-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) 2.41 6.39 -6.51 0 2 0 26 208.301 0 ↓

Analogs

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Popular Name: (2R,6R)-2,4,4-trimethyl-7-oxaspiro[5.5]undec-8-en-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) 2.41 6.36 -6.69 0 2 0 26 208.301 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2,4,4-trimethyl-7-oxaspiro[5.5]undec-8-en-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) 2.41 6.83 -6.71 0 2 0 26 208.301 0 ↓

Analogs

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Popular Name: 3-isopropyl-7-oxaspiro[5.5]undec-8-en-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) 3.02 6.47 -6.84 0 2 0 26 208.301 1 ↓

Analogs

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Popular Name: 3-tert-butyl-7-oxaspiro[5.5]undec-8-en-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) 2.85 6.76 -6.85 0 2 0 26 222.328 1 ↓

Analogs

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Popular Name: 3-ethyl-7-oxaspiro[5.5]undec-8-en-10-one 3-ethyl-7-oxaspiro[5.5]undec-8-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) 2.21 6.01 -6.94 0 2 0 26 194.274 1 ↓

Analogs

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Popular Name: (5R,6R)-5-methyl-7-oxaspiro[5.5]undec-8-en-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) 1.99 5.28 -6.94 0 2 0 26 180.247 0 ↓

Analogs

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Popular Name: (5S,6R)-5-methyl-7-oxaspiro[5.5]undec-8-en-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) 1.99 4.98 -7.05 0 2 0 26 180.247 0 ↓

Analogs

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Popular Name: (5R,6S)-5-methyl-7-oxaspiro[5.5]undec-8-en-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) 1.99 5.32 -6.8 0 2 0 26 180.247 0 ↓

Analogs

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Popular Name: (5S,6S)-5-methyl-7-oxaspiro[5.5]undec-8-en-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) 1.99 5.59 -6.85 0 2 0 26 180.247 0 ↓

Analogs

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Popular Name: (4R,6R)-4-methyl-7-oxaspiro[5.5]undec-8-en-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) 1.76 5.67 -6.84 0 2 0 26 180.247 0 ↓

Analogs

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Popular Name: (4S,6R)-4-methyl-7-oxaspiro[5.5]undec-8-en-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) 1.76 5.34 -6.84 0 2 0 26 180.247 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6S)-4-methyl-7-oxaspiro[5.5]undec-8-en-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) 1.76 5.35 -7.04 0 2 0 26 180.247 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S)-4-methyl-7-oxaspiro[5.5]undec-8-en-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) 1.76 5.66 -6.89 0 2 0 26 180.247 0 ↓

Parameters Provided:

ring.id = 480496
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 = 480496 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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