UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34007401
34007401
42195031
42195031
42195033
42195033

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-morpholinopropyl]sulfonyl-1,3-benzothiazole 2-[(2S)-2-morpholinopropyl]sulfo…

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 2.38 -15.72 0 5 0 60 326.443 4 ↓
Mid Mid (pH 6-8) 2.17 4.19 -44.54 1 5 1 61 327.451 4 ↓

Analogs

34007401
34007401
42195031
42195031
42195033
42195033

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-morpholinopropyl]sulfonyl-1,3-benzothiazole 2-[(2R)-2-morpholinopropyl]sulfo…

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 2.01 -15.95 0 5 0 60 326.443 4 ↓
Mid Mid (pH 6-8) 2.17 3.9 -43.48 1 5 1 61 327.451 4 ↓

Parameters Provided:

ring.id = 95598
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 = 95598 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=95598&filter.purchasability=annotated

Embed Link to Results