UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34994227
34994227
34994226
34994226
35123415
35123415
35123413
35123413
35135216
35135216

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2-amino-2-oxo-ethyl)-cyclopentyl-amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[(2-amino-2-oxo-ethyl)-cycl…

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) 0.79 6.08 -69.56 2 6 -1 104 295.359 6 ↓
Lo Low (pH 4.5-6) 0.79 3.6 -16.98 3 6 0 101 296.367 6 ↓

Analogs

35280091
35280091
35765689
35765689
37504929
37504929
37504930
37504930

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[allyl(cyclopentyl)amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[allyl(cyclopentyl)amino]-2…

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) 2.71 10.17 -62.12 0 4 -1 60 278.372 6 ↓
Lo Low (pH 4.5-6) 2.71 7.7 -12.93 1 4 0 58 279.38 6 ↓

Analogs

35135622
35135622
35135620
35135620
35765689
35765689
35280091
35280091

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[cyclopentyl(2-hydroxyethyl)amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[cyclopentyl(2-hydroxyethyl…

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) 1.43 7.07 -61.11 1 5 -1 81 282.36 6 ↓
Lo Low (pH 4.5-6) 1.43 4.32 -14.05 2 5 0 78 283.368 6 ↓

Parameters Provided:

ring.id = 530410
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 = 530410 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=530410&filter.purchasability=annotated

Embed Link to Results