UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-6-amino-8-(3-bromo-4-propargyloxy-phenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8S)-6-amino-8-(3-bromo-4-propar…

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) 3.56 0.24 -12.12 2 6 0 86 425.238 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-6-amino-8-(3-bromo-4-propargyloxy-phenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8R)-6-amino-8-(3-bromo-4-propar…

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) 3.56 0.22 -12.07 2 6 0 86 425.238 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-6-amino-8-(2,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8R)-6-amino-8-(2,4,5-trimethoxy…

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) 2.24 3.56 -12.79 2 8 0 105 382.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-6-amino-8-(2,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8S)-6-amino-8-(2,4,5-trimethoxy…

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) 2.24 3.56 -12.87 2 8 0 105 382.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-6-amino-8-(3-ethoxy-4-hydroxy-phenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8R)-6-amino-8-(3-ethoxy-4-hydro…

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) 2.32 3 -11.59 3 7 0 107 352.346 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-6-amino-8-(3-ethoxy-4-hydroxy-phenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile (8S)-6-amino-8-(3-ethoxy-4-hydro…

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) 2.32 3 -11.42 3 7 0 107 352.346 3 ↓

Parameters Provided:

ring.id = 232666
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 = 232666 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=232666&filter.purchasability=annotated

Embed Link to Results