UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-4-(2-naphthylmethoxy)benzaldehyde 3,5-dichloro-4-(2-naphthylmethox…

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) 5.77 11.01 -9.29 0 2 0 26 331.198 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-(2-naphthylmethoxy)benzaldehyde 5-bromo-2-(2-naphthylmethoxy)ben…

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) 5.30 10.45 -8.62 0 2 0 26 341.204 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-iodo-4-(2-naphthylmethoxy)benzaldehyde 3-iodo-4-(2-naphthylmethoxy)benz…

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) 5.57 10.91 -11.93 0 2 0 26 388.204 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-chloro-4-(2-naphthylmethoxy)benzaldehyde 3-bromo-5-chloro-4-(2-naphthylme…

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) 5.91 1.25 -8.99 0 2 0 26 375.649 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-methoxy-4-(2-naphthylmethoxy)benzaldehyde 3-chloro-5-methoxy-4-(2-naphthyl…

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) 4.96 2.24 -11.79 0 3 0 35 326.779 5 ↓

Parameters Provided:

ring.id = 2252
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 = 2252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2252&filter.purchasability=annotated

Embed Link to Results