UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

58161523
58161523
58161524
58161524
37004929
37004929
37004928
37004928
37004927
37004927

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-propa (2R)-2-amino-2-cyclopropyl-N-(6,…

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) -0.18 4.72 -49.68 3 6 1 79 264.353 4 ↓
Hi High (pH 8-9.5) -0.18 5.32 -20.51 2 6 0 77 263.345 4 ↓

Analogs

58161523
58161523
58161524
58161524
37004929
37004929
37004928
37004928
37004927
37004927

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-propa (2S)-2-amino-2-cyclopropyl-N-(6,…

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) -0.18 5.34 -62.43 3 6 1 79 264.353 4 ↓
Hi High (pH 8-9.5) -0.18 5.12 -21.67 2 6 0 77 263.345 4 ↓

Parameters Provided:

ring.id = 578112
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 = 578112 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=578112&filter.purchasability=annotated

Embed Link to Results