UCSF
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Analogs

34961745
34961745

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Popular Name: (Z,11Z)-11-[(3R)-3-pentyloxiran-2-ylidene]undec-9-enoic (Z,11Z)-11-[(3R)-3-pentyloxiran-…

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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) 5.91 12.45 -46.84 0 3 -1 53 293.427 13 ↓
Lo Low (pH 4.5-6) 5.91 10.47 -9.39 1 3 0 50 294.435 13 ↓

Analogs

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Popular Name: (7bS)-2-methyl-7bH-oxireno[2,3-c]chromene (7bS)-2-methyl-7bH-oxireno[2,3-c…

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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) 2.53 4.75 -6.69 0 2 0 22 160.172 0 ↓

Analogs

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Popular Name: (7bR)-2-methyl-7bH-oxireno[2,3-c]chromene (7bR)-2-methyl-7bH-oxireno[2,3-c…

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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) 2.53 4.72 -6.7 0 2 0 22 160.172 0 ↓

Parameters Provided:

ring.id = 13843
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 = 13843 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=13843&filter.purchasability=annotated

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