UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(8S)-8-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-(1H-imidazol-5-ylmethyl)methanamine 1-[(8S)-8-bicyclo[4.2.0]octa-1(6…

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) 1.31 6.23 -35.13 3 3 1 42 214.292 4 ↓
Mid Mid (pH 6-8) 1.31 5.74 -8.67 2 3 0 41 213.284 4 ↓
Lo Low (pH 4.5-6) 1.31 7.1 -50.44 3 3 1 45 214.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(8R)-8-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-(1H-imidazol-5-ylmethyl)methanamine 1-[(8R)-8-bicyclo[4.2.0]octa-1(6…

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) 1.31 6.23 -34.88 3 3 1 42 214.292 4 ↓
Mid Mid (pH 6-8) 1.31 5.74 -7.79 2 3 0 41 213.284 4 ↓
Lo Low (pH 4.5-6) 1.31 7.1 -49.81 3 3 1 45 214.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-(2-methyl-1H-imidazol-4-yl)methanamine N-[[(7R)-7-bicyclo[4.2.0]octa-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) 1.40 6.04 -31.24 3 3 1 42 228.319 4 ↓
Mid Mid (pH 6-8) 1.40 5.63 -9.88 2 3 0 41 227.311 4 ↓
Lo Low (pH 4.5-6) 1.40 7.44 -110.05 4 3 2 47 229.327 4 ↓

Parameters Provided:

ring.id = 152792
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 = 152792 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=152792&filter.purchasability=annotated

Embed Link to Results