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

Analogs

44608370
44608370
22059218
22059218

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4R,5R,6S)-3,4,5-tribenzyloxy-2-ethylsulfanyl-6-methyl-tetrahydropyran (2R,3R,4R,5R,6S)-3,4,5-tribenzyl…

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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) 6.10 16.5 -9.29 0 4 0 37 478.654 11 ↓

Analogs

44608370
44608370
22059218
22059218

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5R,6S)-3,4,5-tribenzyloxy-2-ethylsulfanyl-6-methyl-tetrahydropyran (2S,3R,4R,5R,6S)-3,4,5-tribenzyl…

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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) 6.10 15.39 -6.28 0 4 0 37 478.654 11 ↓

Analogs

3956813
3956813

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5S,6R)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-ol (2S,3S,4S,5S,6R)-3,4,5-tribenzyl…

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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) 4.56 12.36 -8.49 1 5 0 57 434.532 9 ↓

Analogs

3956813
3956813

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5S,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-ol (2S,3S,4S,5S,6S)-3,4,5-tribenzyl…

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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) 4.56 11.63 -7.91 1 5 0 57 434.532 9 ↓

Analogs

3956813
3956813

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S,6R)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-ol (2S,3R,4S,5S,6R)-3,4,5-tribenzyl…

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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) 4.56 11.82 -8.11 1 5 0 57 434.532 9 ↓

Analogs

3956813
3956813

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-ol (2S,3R,4S,5S,6S)-3,4,5-tribenzyl…

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) 4.56 11.48 -8.04 1 5 0 57 434.532 9 ↓

Parameters Provided:

ring.id = 15490
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 = 15490 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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