UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-1-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-1,4-diazepan-5-one (2R)-1-[(4-imidazol-1-ylphenyl)m…

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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) 0.64 5.77 -12.79 1 5 0 50 284.363 3 ↓
Lo Low (pH 4.5-6) 0.64 8.23 -94.35 3 5 2 53 286.379 3 ↓
Lo Low (pH 4.5-6) 0.64 7.72 -54.7 2 5 1 51 285.371 3 ↓

Analogs

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Popular Name: (2S)-1-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-1,4-diazepan-5-one (2S)-1-[(4-imidazol-1-ylphenyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.64 5.77 -12.8 1 5 0 50 284.363 3 ↓
Lo Low (pH 4.5-6) 0.64 8.23 -94.97 3 5 2 53 286.379 3 ↓
Lo Low (pH 4.5-6) 0.64 7.71 -54.73 2 5 1 51 285.371 3 ↓

Parameters Provided:

ring.id = 612004
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 = 612004 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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