UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40528015
40528015
44910639
44910639
44910642
44910642
49282633
49282633
49282635
49282635

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-methyl-1,4-diazepane-1-sulfonamide N-cyclopentyl-N-methyl-1,4-diaze…

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) 0.69 2.54 -46.76 2 5 1 57 262.399 3 ↓
Hi High (pH 8-9.5) 0.69 1.37 -7.74 1 5 0 53 261.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl(1,4-diazepan-1-ylsulfonyl)amino]acetamide 2-[cyclopentyl(1,4-diazepan-1-yl…

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) -0.58 -0.46 -59.48 4 7 1 100 305.424 5 ↓
Hi High (pH 8-9.5) -0.58 -1.65 -18.22 3 7 0 96 304.416 5 ↓

Parameters Provided:

ring.id = 144748
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 = 144748 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=144748&filter.purchasability=annotated

Embed Link to Results