UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442667
12442667
12442669
12442669

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Popular Name: (2Z)-4-methyl-2-[(4-phenylphenyl)methylene]-8-(3-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 5.18 11.78 -11.46 0 5 0 56 460.533 4 ↓
Lo Low (pH 4.5-6) 5.18 12.24 -44.57 1 5 1 57 461.541 4 ↓

Analogs

12442665
12442665
9423883
9423883
20649243
20649243

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

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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) 4.80 11.12 -11.44 0 5 0 56 446.506 4 ↓
Lo Low (pH 4.5-6) 4.80 11.59 -44.74 1 5 1 57 447.514 4 ↓

Parameters Provided:

ring.id = 561537
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 = 561537 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=561537&filter.purchasability=annotated

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