UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-isopropyl-2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-yl]acetamide N-isopropyl-2-[4-(3-methyl-5-nit…

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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) 0.75 8.15 -62.9 2 9 1 100 325.393 5 ↓
Hi High (pH 8-9.5) 0.75 5.9 -25.39 1 9 0 99 324.385 5 ↓
Lo Low (pH 4.5-6) 0.75 8.61 -105.59 3 9 2 102 326.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-yl]acetamide 2-[4-(3-methyl-5-nitro-imidazol-…

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) -0.80 6.59 -59.22 3 9 1 114 283.312 4 ↓
Hi High (pH 8-9.5) -0.80 4.93 -19.83 2 9 0 113 282.304 4 ↓
Lo Low (pH 4.5-6) -0.80 7.05 -106.87 4 9 2 116 284.32 4 ↓

Parameters Provided:

ring.id = 11216
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 = 11216 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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