UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Vinylbacteriochlorophyllide a; C18152 3-Vinylbacteriochlorophyllide a;…

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) 5.50 16.35 -64.31 2 9 -1 141 593.704 7 ↓
Lo Low (pH 4.5-6) 5.50 14.36 -23.59 3 9 0 138 594.712 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-Hydroxyethylbacteriochlorophyllide a; C18153 3-Hydroxyethylbacteriochlorophyl…

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) 4.39 13.45 -65.14 3 10 -1 161 611.719 7 ↓
Lo Low (pH 4.5-6) 4.39 11.47 -25.24 4 10 0 158 612.727 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Bacteriochlorophyllide a; C18155 Bacteriochlorophyllide a; C18155

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) 4.72 15.7 -62.44 2 10 -1 158 609.703 7 ↓
Lo Low (pH 4.5-6) 4.72 13.74 -24.5 3 10 0 155 610.711 7 ↓

Parameters Provided:

ring.id = 169862
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 = 169862 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=169862&filter.purchasability=annotated

Embed Link to Results