UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide 2-chloro-N-(4,5,6,7-tetrahydro-1…

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) 3.14 3.64 -9.39 1 6 0 88 330.822 2 ↓
Mid Mid (pH 6-8) 2.22 3.1 -39.48 0 6 -1 87 329.814 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydrazino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide 2-hydrazino-N-(4,5,6,7-tetrahydr…

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 3.06 -12.37 4 8 0 126 326.407 3 ↓
Mid Mid (pH 6-8) 0.78 2.52 -46.27 3 8 -1 125 325.399 4 ↓
Lo Low (pH 4.5-6) 1.71 3.56 -35.56 5 8 1 127 327.415 3 ↓

Parameters Provided:

ring.id = 587968
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 = 587968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=587968&filter.purchasability=annotated

Embed Link to Results