UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aR,5R,6R,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dio [(3aR,5R,6R,6aR)-5-[(3S)-1,4-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) 5.46 11.4 -8.66 0 7 0 72 444.524 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aR,5S,6R,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dio [(3aR,5S,6R,6aR)-5-[(3S)-1,4-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) 5.46 11.5 -8.33 0 7 0 72 444.524 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aR,5S,6S,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dio [(3aR,5S,6S,6aR)-5-[(3S)-1,4-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) 5.46 11.04 -10.06 0 7 0 72 444.524 4 ↓

Analogs

32107063
32107063
32107065
32107065
33707718
33707718
33707720
33707720
33707722
33707722

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aR,5R,6R,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dio [(3aR,5R,6R,6aR)-5-[(3S)-1,4-dio…

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Activity (Go SEA)

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) 5.42 12.08 -9.64 0 10 0 118 489.521 5 ↓

Analogs

33707718
33707718
33707720
33707720
33707722
33707722
33707724
33707724
2981246
2981246

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aR,5R,6S,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dio [(3aR,5R,6S,6aR)-5-[(3S)-1,4-dio…

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Activity (Go SEA)

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) 5.42 12 -10.04 0 10 0 118 489.521 5 ↓

Analogs

32107063
32107063
32107065
32107065
33707718
33707718
33707720
33707720
33707722
33707722

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aR,5S,6R,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dio [(3aR,5S,6R,6aR)-5-[(3S)-1,4-dio…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.42 12.17 -8.55 0 10 0 118 489.521 5 ↓

Parameters Provided:

ring.id = 146291
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 = 146291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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