UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide N-(5-butyl-1,3,4-thiadiazol-2-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) 4.43 7.86 -53.91 1 7 -1 103 467.955 8 ↓
Mid Mid (pH 6-8) 4.43 7.79 -24.71 2 7 0 101 468.963 8 ↓
Mid Mid (pH 6-8) 4.50 6.95 -102.95 0 7 -2 109 466.947 8 ↓

Analogs

25445391
25445391
25445530
25445530
25445538
25445538
39759735
39759735
39766300
39766300

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(benzenesulfonamido)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide 3-(benzenesulfonamido)-N-(5-buty…

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) 3.64 7.24 -23.3 2 7 0 101 416.528 8 ↓
Hi High (pH 8-9.5) 3.70 6.41 -104.3 0 7 -2 109 414.512 8 ↓
Mid Mid (pH 6-8) 3.64 7.31 -56.88 1 7 -1 103 415.52 8 ↓

Parameters Provided:

ring.id = 119404
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 = 119404 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=119404&filter.purchasability=annotated

Embed Link to Results