UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3,7-dioxaspiro[5.5]undec-8-en-10-one 3,7-dioxaspiro[5.5]undec-8-en-10…

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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) 0.22 2.64 -8.04 0 3 0 36 168.192 0 ↓

Analogs

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Popular Name: (2R,6S)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2R,6S)-2-ethyl-2-methyl-3,7-dio…

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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) 1.53 4.62 -7.74 0 3 0 36 210.273 1 ↓

Analogs

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Popular Name: (2S,6S)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2S,6S)-2-ethyl-2-methyl-3,7-dio…

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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) 1.53 4.42 -7.17 0 3 0 36 210.273 1 ↓

Analogs

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Popular Name: (2R,6R)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2R,6R)-2-ethyl-2-methyl-3,7-dio…

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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) 1.53 4.4 -7.36 0 3 0 36 210.273 1 ↓

Analogs

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Popular Name: (2S,6R)-2-ethyl-2-methyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2S,6R)-2-ethyl-2-methyl-3,7-dio…

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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) 1.53 4.77 -7.74 0 3 0 36 210.273 1 ↓

Analogs

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Popular Name: (2S,6S)-2-isopropyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2S,6S)-2-isopropyl-3,7-dioxaspi…

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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) 1.33 4.76 -7.58 0 3 0 36 210.273 1 ↓

Analogs

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Popular Name: (2R,6S)-2-isopropyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2R,6S)-2-isopropyl-3,7-dioxaspi…

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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) 1.33 4.56 -7.4 0 3 0 36 210.273 1 ↓

Analogs

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Popular Name: (2S,6R)-2-isopropyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2S,6R)-2-isopropyl-3,7-dioxaspi…

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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) 1.33 4.49 -7.21 0 3 0 36 210.273 1 ↓

Analogs

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Popular Name: (2R,6R)-2-isopropyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2R,6R)-2-isopropyl-3,7-dioxaspi…

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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) 1.33 4.83 -7.57 0 3 0 36 210.273 1 ↓

Analogs

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Popular Name: (6S)-2,2-dimethyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (6S)-2,2-dimethyl-3,7-dioxaspiro…

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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) 1.03 3.96 -7.88 0 3 0 36 196.246 0 ↓

Analogs

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Popular Name: (6R)-2,2-dimethyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (6R)-2,2-dimethyl-3,7-dioxaspiro…

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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) 1.03 4.06 -7.93 0 3 0 36 196.246 0 ↓

Analogs

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Popular Name: (2R,6S)-2-ethyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2R,6S)-2-ethyl-3,7-dioxaspiro[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) 1.09 4.23 -7.75 0 3 0 36 196.246 1 ↓

Analogs

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Popular Name: (2S,6S)-2-ethyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2S,6S)-2-ethyl-3,7-dioxaspiro[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) 1.09 3.95 -7.52 0 3 0 36 196.246 1 ↓

Analogs

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Popular Name: (2R,6R)-2-ethyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2R,6R)-2-ethyl-3,7-dioxaspiro[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) 1.09 3.96 -7.47 0 3 0 36 196.246 1 ↓

Analogs

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Popular Name: (2S,6R)-2-ethyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2S,6R)-2-ethyl-3,7-dioxaspiro[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) 1.09 4.23 -7.75 0 3 0 36 196.246 1 ↓

Analogs

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Popular Name: (2R,6S)-2-methyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2R,6S)-2-methyl-3,7-dioxaspiro[…

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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) 0.58 3.41 -7.91 0 3 0 36 182.219 0 ↓

Analogs

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Popular Name: (2S,6S)-2-methyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2S,6S)-2-methyl-3,7-dioxaspiro[…

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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) 0.58 3.13 -7.7 0 3 0 36 182.219 0 ↓

Analogs

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Popular Name: (2R,6R)-2-methyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2R,6R)-2-methyl-3,7-dioxaspiro[…

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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) 0.58 3.14 -7.59 0 3 0 36 182.219 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2-methyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2S,6R)-2-methyl-3,7-dioxaspiro[…

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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) 0.58 3.41 -7.88 0 3 0 36 182.219 0 ↓

Analogs

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Popular Name: (2R,6S)-2-propyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2R,6S)-2-propyl-3,7-dioxaspiro[…

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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) 1.65 5.01 -7.7 0 3 0 36 210.273 2 ↓

Analogs

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Popular Name: (2S,6S)-2-propyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2S,6S)-2-propyl-3,7-dioxaspiro[…

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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) 1.65 4.73 -7.49 0 3 0 36 210.273 2 ↓

Analogs

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Popular Name: (2R,6R)-2-propyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2R,6R)-2-propyl-3,7-dioxaspiro[…

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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) 1.65 4.75 -7.44 0 3 0 36 210.273 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-2-propyl-3,7-dioxaspiro[5.5]undec-8-en-10-one (2S,6R)-2-propyl-3,7-dioxaspiro[…

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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) 1.65 5.01 -7.74 0 3 0 36 210.273 2 ↓

Parameters Provided:

ring.id = 480530
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 = 480530 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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