UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(1S,8bR)-8-chloro-8b-[(2S,3R,5R,6R)-3,5-dihydroxy-5,6-dimethyl-4-oxo-tetrahydropyran-2-yl]oxy-1-h 2-[(1S,8bR)-8-chloro-8b-[(2S,3R,…

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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) 1.04 2.9 -16.83 3 7 0 120 417.845 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,8bR)-8-chloro-8b-[(2S,3R,5R,6S)-3,5-dihydroxy-5,6-dimethyl-4-oxo-tetrahydropyran-2-yl]oxy-1-h 2-[(1S,8bR)-8-chloro-8b-[(2S,3R,…

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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) 1.04 2.63 -17.31 3 7 0 120 417.845 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,8bR)-8-chloro-8b-[(2S,3R,5S,6R)-3,5-dihydroxy-5,6-dimethyl-4-oxo-tetrahydropyran-2-yl]oxy-1-h 2-[(1S,8bR)-8-chloro-8b-[(2S,3R,…

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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) 1.04 2.06 -16.92 3 7 0 120 417.845 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,8bR)-8-chloro-8b-[(2S,3R,5S,6S)-3,5-dihydroxy-5,6-dimethyl-4-oxo-tetrahydropyran-2-yl]oxy-1-h 2-[(1S,8bR)-8-chloro-8b-[(2S,3R,…

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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) 1.04 1.73 -17.4 3 7 0 120 417.845 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,8bR)-5-chloro-8b-[(2S,3R,5R,6R)-3,5-dihydroxy-5,6-dimethyl-4-oxo-tetrahydropyran-2-yl]oxy-1-h 2-[(1S,8bR)-5-chloro-8b-[(2S,3R,…

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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) 1.04 3.1 -15.53 3 7 0 120 417.845 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,8bR)-5-chloro-8b-[(2S,3R,5R,6S)-3,5-dihydroxy-5,6-dimethyl-4-oxo-tetrahydropyran-2-yl]oxy-1-h 2-[(1S,8bR)-5-chloro-8b-[(2S,3R,…

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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) 1.04 2.67 -16.63 3 7 0 120 417.845 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,8bR)-5-chloro-8b-[(2S,3R,5S,6R)-3,5-dihydroxy-5,6-dimethyl-4-oxo-tetrahydropyran-2-yl]oxy-1-h 2-[(1S,8bR)-5-chloro-8b-[(2S,3R,…

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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) 1.04 2.16 -16.19 3 7 0 120 417.845 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,8bR)-5-chloro-8b-[(2S,3R,5S,6S)-3,5-dihydroxy-5,6-dimethyl-4-oxo-tetrahydropyran-2-yl]oxy-1-h 2-[(1S,8bR)-5-chloro-8b-[(2S,3R,…

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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) 1.04 1.74 -16.14 3 7 0 120 417.845 3 ↓

Parameters Provided:

ring.id = 138890
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 = 138890 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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