UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5200314
5200314
5234403
5234403
5643704
5643704
5643707
5643707
16699661
16699661

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-[(4-isobutoxyphenyl)methoxy]-3,3-dimethyl-2,4,8-trioxabicyclo[3 7-(2,2-dimethyl-1,3-dioxolan-4-y…

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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) 4.09 -1.9 -7.59 0 7 0 64 422.518 7 ↓

Analogs

5200314
5200314
5234403
5234403
5643704
5643704
5643707
5643707
16699661
16699661

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-[(4-isobutoxyphenyl)methoxy]-3,3-dimethyl-2,4,8-trioxabicyclo[3 7-(2,2-dimethyl-1,3-dioxolan-4-y…

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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) 4.09 -2.72 -6.79 0 7 0 64 422.518 7 ↓

Analogs

5200314
5200314
5234403
5234403
5643704
5643704
5643707
5643707
16699661
16699661

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-[(4-isobutoxyphenyl)methoxy]-3,3-dimethyl-2,4,8-trioxabicyclo[3 7-(2,2-dimethyl-1,3-dioxolan-4-y…

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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) 4.09 -2.32 -8.33 0 7 0 64 422.518 7 ↓

Analogs

5234403
5234403
5643704
5643704
5643707
5643707
5727164
5727164
16699661
16699661

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-[(4-isobutoxyphenyl)methoxy]-3,3-dimethyl-2,4,8-trioxabicyclo[3 7-(2,2-dimethyl-1,3-dioxolan-4-y…

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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) 4.09 -1.84 -9.96 0 7 0 64 422.518 7 ↓

Analogs

4029513
4029513
4176681
4176681

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Popular Name: (3aS,5S,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-[(4-pentoxyphenyl)methoxy]-3a (3aS,5S,6R,6aR)-5-[(4S)-2,2-dime…

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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) 4.91 9.5 -7.19 0 7 0 65 436.545 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-[(4-pentoxyphenyl)methoxy]-3a (3aS,5S,6S,6aR)-5-[(4S)-2,2-dime…

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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) 4.91 8.93 -6.7 0 7 0 65 436.545 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,5R,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-[(4-pentoxyphenyl)methoxy]-3a (3aS,5R,6R,6aR)-5-[(4S)-2,2-dime…

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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) 4.91 9.21 -8.7 0 7 0 65 436.545 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,5R,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-[(4-pentoxyphenyl)methoxy]-3a (3aS,5R,6S,6aR)-5-[(4S)-2,2-dime…

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) 4.91 9.73 -10.79 0 7 0 65 436.545 9 ↓

Parameters Provided:

ring.id = 251317
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 = 251317 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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