UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37039282
37039282
37039283
37039283

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-isopropylpyrrolidin-3-yl]azepane-1-sulfonamide N-[(3S)-1-isopropylpyrrolidin-3-…

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) 1.71 4.43 -44.06 2 5 1 54 290.453 4 ↓
Mid Mid (pH 6-8) 1.71 4.38 -35.95 1 5 0 56 289.445 4 ↓

Analogs

37039282
37039282
37039283
37039283

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-isopropylpyrrolidin-3-yl]azepane-1-sulfonamide N-[(3R)-1-isopropylpyrrolidin-3-…

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) 1.71 4.36 -43.86 2 5 1 54 290.453 4 ↓
Mid Mid (pH 6-8) 1.71 4.22 -36.96 1 5 0 56 289.445 4 ↓

Parameters Provided:

ring.id = 174699
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 = 174699 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=174699&filter.purchasability=annotated

Embed Link to Results