UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34926344
34926344
34926345
34926345
34926342
34926342

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[(8aR)-3,4,6,7,8,8a-he…

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) 0.29 6.67 -63.21 1 5 0 65 238.287 2 ↓
Mid Mid (pH 6-8) 0.29 4.54 -54.16 0 5 -1 64 237.279 2 ↓
Lo Low (pH 4.5-6) 0.29 4.72 -48.23 2 5 1 62 239.295 2 ↓

Analogs

34926344
34926344
34926345
34926345
34926342
34926342

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[(8aS)-3,4,6,7,8,8a-he…

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) 0.29 6.6 -59.96 1 5 0 65 238.287 2 ↓
Mid Mid (pH 6-8) 0.29 4.37 -56.29 0 5 -1 64 237.279 2 ↓
Lo Low (pH 4.5-6) 0.29 4.67 -47.9 2 5 1 62 239.295 2 ↓

Parameters Provided:

ring.id = 581158
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 = 581158 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=581158&filter.purchasability=annotated

Embed Link to Results