UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41649634
41649634
41656419
41656419
41656425
41656425
41656450
41656450
41656456
41656456

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Popular Name: 2-furylmethylene-(4-pyridylmethyl)BLAHone 2-furylmethylene-(4-pyridylmethy…

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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) 2.21 6.45 -12.5 0 6 0 69 360.369 3 ↓
Lo Low (pH 4.5-6) 2.21 1.86 -115.99 2 6 2 71 362.385 3 ↓

Analogs

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Popular Name: (2Z)-2-(2-furylmethylene)-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-(2-furylmethylene)-4-meth…

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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) 2.59 7.23 -12.83 0 6 0 69 374.396 3 ↓
Lo Low (pH 4.5-6) 2.59 7.68 -44.2 1 6 1 70 375.404 3 ↓

Analogs

9422806
9422806
9422356
9422356

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Popular Name: (2Z)-4-methyl-2-[(5-methyl-2-furyl)methylene]-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-4-methyl-2-[(5-methyl-2-fur…

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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) 2.81 8.05 -12.86 0 6 0 69 388.423 3 ↓
Lo Low (pH 4.5-6) 2.81 8.51 -44.28 1 6 1 70 389.431 3 ↓

Parameters Provided:

ring.id = 7367
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 = 7367 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=7367&filter.purchasability=annotated

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