UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16036728
16036728
16036729
16036729
16036730
16036730
36369559
36369559
36369560
36369560

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Popular Name: 1,2:5,6-DI-O-ISOPROPYLIDENE-3-O-(METHYLSULFONYL)-ALPHA-D-GLUCOFURANOSE 1,2:5,6-DI-O-ISOPROPYLIDENE-3-O-…

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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) 0.69 -6.4 -13.1 0 8 0 90 338.378 3 ↓

Analogs

39936
39936
2151218
2151218

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2:5,6-DI-O-ISOPROPYLIDENE-ALPHA-D-RIBO-3-HEXOFURANOSE-3-ULOSE MONOHYDRATE 1,2:5,6-DI-O-ISOPROPYLIDENE-ALPH…

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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) 0.13 -7.28 -9.98 2 7 0 87 276.285 1 ↓

Analogs

3881596
3881596
4428800
4428800
4428801
4428801
4428802
4428802
4428803
4428803

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Popular Name: methanesulfonic-acid-[(3aR,5S,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a methanesulfonic-acid-[(3aR,5S,6R…

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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) 0.69 -6.6 -16.74 0 8 0 89 338.378 3 ↓

Analogs

3881599
3881599
3881600
3881600
3956800
3956800
3956801
3956801
3956802
3956802

Draw Identity 99% 90% 80% 70%

Popular Name: Diacetone-D-glucose Diacetone-D-glucose

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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) 1.66 -5.36 -5.33 1 6 0 66 260.286 1 ↓

Analogs

3881599
3881599
3881600
3881600
3956800
3956800
3956801
3956801
3956802
3956802

Draw Identity 99% 90% 80% 70%

Popular Name: Diacetone-D-glucose Diacetone-D-glucose

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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) 1.66 -5.18 -6.65 1 6 0 66 260.286 1 ↓

Parameters Provided:

ring.id = 101236
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 = 101236 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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