UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(1-propyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1-propyltetrazol-5-yl)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) 1.18 6.05 -52.2 2 6 1 63 273.364 4 ↓
Hi High (pH 8-9.5) 1.18 4.81 -9.2 1 6 0 59 272.356 4 ↓

Analogs

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Popular Name: 1-[(1-butyltetrazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine 1-[(1-butyltetrazol-5-yl)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) 1.74 6.83 -52.34 2 6 1 63 287.391 5 ↓
Hi High (pH 8-9.5) 1.74 5.59 -9.06 1 6 0 59 286.383 5 ↓

Parameters Provided:

ring.id = 280704
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 = 280704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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