UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36455274
36455274

Draw Identity 99% 90% 80% 70%

Popular Name: (trihydroxy-tetramethyl-methylene-oxo-BLAHyl) (trihydroxy-tetramethyl-methylen…

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) 4.24 6.39 -16.22 3 6 0 104 480.601 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (diacetoxy-tetramethyl-methylene-BLAHyl) (diacetoxy-tetramethyl-methylene…

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) 7.60 18.59 -14.51 0 6 0 79 550.736 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclooctylideneethanamine 2-cyclooctylideneethanamine

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) 2.50 4.2 -40.99 3 1 1 28 154.277 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclooctylidenepropan-1-amine 3-cyclooctylidenepropan-1-amine

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) 2.77 4.98 -41.53 3 1 1 28 168.304 2 ↓

Parameters Provided:

ring.id = 11389
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 = 11389 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11389&filter.purchasability=annotated

Embed Link to Results