UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442578
12442578
12442513
12442513
12442511
12442511

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Popular Name: (2Z)-4-methyl-2-[(4-phenylphenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-4-methyl-2-[(4-phenylphenyl…

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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) 7.34 15.26 -10.29 0 4 0 43 487.599 6 ↓
Lo Low (pH 4.5-6) 7.34 18.1 -53.25 1 4 1 44 488.607 6 ↓

Analogs

12442693
12442693
12442691
12442691

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Popular Name: (2Z)-2-[(4-phenylphenyl)methylene]-8-(3-phenylpropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-phenylphenyl)methylen…

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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) 6.96 14.6 -10.34 0 4 0 43 473.572 6 ↓
Lo Low (pH 4.5-6) 6.96 17.45 -53.84 1 4 1 44 474.58 6 ↓

Parameters Provided:

ring.id = 561488
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 = 561488 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=561488&filter.purchasability=annotated

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