UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38627877
38627877

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Popular Name: 2-methoxy-4-[(E)-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-ylhydrazono)methyl]phenol 2-methoxy-4-[(E)-(4,5,6,7-tetrah…

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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) 1.50 -4.46 -30.25 4 6 1 79 263.321 4 ↓

Analogs

31861338
31861338

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Popular Name: 2-[(E)-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-ylhydrazono)methyl]benzoate 2-[(E)-(4,5,6,7-tetrahydro-1H-1,…

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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) 1.69 -3.43 -47.82 3 6 0 90 260.297 4 ↓

Parameters Provided:

ring.id = 245465
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 = 245465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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