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

Analogs

183402
183402

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,5R,6S,9S)-2,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-7-en-5-yl]methyl [(1S,2S,5R,6S,9S)-2,6,8,9-tetram…

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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) 4.94 7.94 -6.55 1 4 0 48 329.44 4 ↓

Analogs

183402
183402

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R,5R,6S,9S)-2,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-7-en-5-yl]methyl [(1S,2R,5R,6S,9S)-2,6,8,9-tetram…

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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) 4.94 8 -6.68 1 4 0 48 329.44 4 ↓

Analogs

655358
655358
4024340
4024340
4024342
4024342
4024344
4024344

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,5R,6R,9R)-6,8,9-trimethyl-2-phenyl-3-oxabicyclo[3.3.1]non-7-en-5-yl]methyl [(1S,2S,5R,6R,9R)-6,8,9-trimethy…

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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) 6.16 10.89 -7.09 1 4 0 48 391.511 5 ↓

Analogs

519425
519425
519426
519426
519427
519427

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-[(1S,2R,5S,6S,9R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol 2-methoxy-4-[(1S,2R,5S,6S,9R)-6,…

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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) 4.24 5.93 -5.36 1 3 0 39 288.387 2 ↓

Analogs

519425
519425
519426
519426
519427
519427

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-[(1S,2S,5S,6S,9R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol 2-methoxy-4-[(1S,2S,5S,6S,9R)-6,…

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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) 4.24 6.07 -5.45 1 3 0 39 288.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,4S,5S,8S,9S)-2,4,9-trimethyl-8-propyl-7-oxabicyclo[3.3.1]non-2-en-5-yl]methanol [(1S,4S,5S,8S,9S)-2,4,9-trimethy…

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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) 3.81 5 -3.24 1 2 0 29 238.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,4S,5S,8R,9S)-2,4,9-trimethyl-8-propyl-7-oxabicyclo[3.3.1]non-2-en-5-yl]methanol [(1S,4S,5S,8R,9S)-2,4,9-trimethy…

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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) 3.81 5.07 -3.27 1 2 0 29 238.371 3 ↓

Parameters Provided:

ring.id = 146016
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 = 146016 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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