UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13730653
13730653
13736603
13736603
13691451
13691451

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

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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) 5.67 11.8 -11.41 0 5 0 56 449.506 4 ↓
Lo Low (pH 4.5-6) 5.67 14.64 -50.35 1 5 1 57 450.514 4 ↓

Analogs

13736603
13736603
13730653
13730653
13721337
13721337

Draw Identity 99% 90% 80% 70%

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

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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) 5.30 11.15 -11.41 0 5 0 56 435.479 4 ↓
Lo Low (pH 4.5-6) 5.30 13.98 -50.96 1 5 1 57 436.487 4 ↓

Parameters Provided:

ring.id = 561534
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 = 561534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=561534&filter.purchasability=annotated

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