UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(trifluoromethyl)phenyl]sulfonyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-[2-(trifluoromethyl)phenyl]sul…

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) 1.31 1.54 -23.76 2 6 0 79 377.388 3 ↓
Mid Mid (pH 6-8) 1.31 2.71 -73.75 3 6 1 83 378.396 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-tert-butylphenyl)sulfonyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-(4-tert-butylphenyl)sulfonyl-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) 2.17 2.12 -10.77 2 6 0 79 365.499 3 ↓
Mid Mid (pH 6-8) 2.17 3.28 -52.9 3 6 1 83 366.507 3 ↓

Parameters Provided:

ring.id = 579176
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 = 579176 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=579176&filter.purchasability=annotated

Embed Link to Results