UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4164495
4164495
4164492
4164492

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4R,5S)-5-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]bicyclo[2.2.1]hept-2-ene- (1R,4R,5S)-5-methyl-N-[4-[(5-phe…

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) 4.78 10.77 -22.61 2 6 0 84 430.533 5 ↓
Hi High (pH 8-9.5) 4.85 9.11 -58.41 1 6 -1 90 429.525 5 ↓

Analogs

4164495
4164495
4164492
4164492

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4R,5R)-5-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]bicyclo[2.2.1]hept-2-ene- (1R,4R,5R)-5-methyl-N-[4-[(5-phe…

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) 4.78 10.8 -23.59 2 6 0 84 430.533 5 ↓
Hi High (pH 8-9.5) 4.85 9.14 -60.09 1 6 -1 90 429.525 5 ↓

Parameters Provided:

ring.id = 1737
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 = 1737 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=1737&filter.purchasability=annotated

Embed Link to Results