UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4097859
4097859

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Popular Name: (Z)-acetyl-ethylidene-BLAHcarbaldehyde (Z)-acetyl-ethylidene-BLAHcarbal…

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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) 2.78 9.39 -52.55 1 4 1 42 337.443 1 ↓

Analogs

4097859
4097859

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Popular Name: (Z)-ethylidene-hydroxy-methyl-BLAHcarbaldehyde (Z)-ethylidene-hydroxy-methyl-BL…

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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) -1.07 6.64 -45.22 2 4 1 49 325.432 1 ↓

Analogs

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Popular Name: N-[(E)-[(Z)-ethylidene(methyl)BLAHyl]methyleneamino]aniline N-[(E)-[(Z)-ethylidene(methyl)BL…

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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) 2.23 12.71 -39.35 2 4 1 36 399.562 3 ↓

Parameters Provided:

ring.id = 39767
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 = 39767 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=39767&filter.purchasability=annotated

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