UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4E)-6-methoxy-4-[[(2R,3R,6R)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxyi (2R,3R,4E)-6-methoxy-4-[[(2R,3R,…

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) 6.33 11.63 -15.16 1 9 0 97 609.675 10 ↓
Mid Mid (pH 6-8) 6.33 12.25 -65.73 0 9 -1 100 608.667 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4E)-6-methoxy-4-[[(2R,3S,6R)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxyi (2R,3R,4E)-6-methoxy-4-[[(2R,3S,…

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) 6.33 11.45 -13.44 1 9 0 97 609.675 10 ↓
Mid Mid (pH 6-8) 6.33 12.08 -62.38 0 9 -1 100 608.667 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4E)-6-methoxy-4-[[(2R,3R,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxyi (2R,3R,4E)-6-methoxy-4-[[(2R,3R,…

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) 6.33 11.36 -13.02 1 9 0 97 609.675 10 ↓
Mid Mid (pH 6-8) 6.33 11.98 -62.13 0 9 -1 100 608.667 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4E)-6-methoxy-4-[[(2R,3S,6S)-3-(4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methoxyi (2R,3R,4E)-6-methoxy-4-[[(2R,3S,…

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) 6.33 11.34 -14.86 1 9 0 97 609.675 10 ↓
Mid Mid (pH 6-8) 6.33 11.97 -60.38 0 9 -1 100 608.667 10 ↓

Parameters Provided:

ring.id = 482420
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 = 482420 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=482420&filter.purchasability=annotated

Embed Link to Results