UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14555760
14555760
14555765
14555765
15206072
15206072
18120234
18120234
22057833
22057833

Draw Identity 99% 90% 80% 70%

Popular Name: 1.2:4,5-Di-O-isopropylidene-myo-inositol 1.2:4,5-Di-O-isopropylidene-myo-…

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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) 0.52 -2 -8.2 2 6 0 77 260.286 0 ↓

Analogs

14555765
14555765
15206072
15206072
18120234
18120234
22057833
22057833
14555757
14555757

Draw Identity 99% 90% 80% 70%

Popular Name: 1.2:4,5-Di-O-isopropylidene-myo-inositol 1.2:4,5-Di-O-isopropylidene-myo-…

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) 0.52 -0.97 -7.87 2 6 0 77 260.286 0 ↓

Analogs

15206072
15206072
18120234
18120234
22057833
22057833
14555757
14555757

Draw Identity 99% 90% 80% 70%

Popular Name: tetramethylBLAHdiol tetramethylBLAHdiol

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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) 0.52 -2.73 -7.39 2 6 0 77 260.286 0 ↓

Parameters Provided:

ring.id = 246595
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 = 246595 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=246595&filter.purchasability=annotated

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