UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4148602
4148602

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine 6-chloro-3-[2-(3,4-dimethoxyphen…

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) 3.92 6.3 -13.66 0 5 0 44 384.863 5 ↓

Analogs

19358593
19358593

Draw Identity 99% 90% 80% 70%

Popular Name: chloro-phenethyl-BLAH chloro-phenethyl-BLAH

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) 4.27 0.28 -47.54 1 3 1 26 325.819 3 ↓
Lo Low (pH 4.5-6) 4.27 0.48 -99.24 2 3 2 27 326.827 3 ↓

Parameters Provided:

ring.id = 52601
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrcn = axeso
iosrct = affiliate
iid = 191540506

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 = 52601 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=52601&filter.purchasability=annotated

Embed Link to Results