UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8917983
8917983
8917984
8917984
8918579
8918579
8918580
8918580

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-[(8R,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11 2-[(E)-[(8R,9S,10R,11R,13S,14S,1…

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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) 1.56 4.12 -19.69 4 9 0 141 525.646 7 ↓
Lo Low (pH 4.5-6) 1.56 4.58 -51.47 5 9 1 143 526.654 7 ↓

Analogs

8917983
8917983
8917984
8917984
8918579
8918579
8918580
8918580

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(E)-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11 2-[(E)-[(8S,9S,10R,11R,13S,14S,1…

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) 1.56 4.17 -20.56 4 9 0 141 525.646 7 ↓
Lo Low (pH 4.5-6) 1.56 4.63 -52.16 5 9 1 143 526.654 7 ↓

Parameters Provided:

ring.id = 194929
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 = 194929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=194929&filter.purchasability=annotated

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