UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,4-diphenylchromene-4,7,8-triol (4R)-2,4-diphenylchromene-4,7,8-…

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) 3.25 5.08 -11.93 3 4 0 70 332.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,4-diphenylchromene-4,7,8-triol (4S)-2,4-diphenylchromene-4,7,8-…

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) 3.25 5.08 -11.91 3 4 0 70 332.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,4-diphenylchromene-4,5,7-triol (4R)-2,4-diphenylchromene-4,5,7-…

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) 3.43 4.94 -10.06 3 4 0 70 332.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,4-diphenylchromene-4,5,7-triol (4S)-2,4-diphenylchromene-4,5,7-…

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) 3.43 5.01 -10.25 3 4 0 70 332.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4R)-4,5-diacetoxy-2,4-diphenyl-chromen-7-yl] [(4R)-4,5-diacetoxy-2,4-diphenyl…

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) 3.73 15.44 -19.94 0 7 0 88 458.466 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(4S)-4,5-diacetoxy-2,4-diphenyl-chromen-7-yl] [(4S)-4,5-diacetoxy-2,4-diphenyl…

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) 3.73 15.58 -21.69 0 7 0 88 458.466 8 ↓

Parameters Provided:

ring.id = 261831
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 = 261831 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=261831&filter.purchasability=annotated

Embed Link to Results