UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44686467
44686467
44686470
44686470

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Popular Name: (1R,8R)-N-[(4-imidazol-1-ylphenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1R,8R)-N-[(4-imidazol-1-ylpheny…

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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) 1.37 9.51 -39.12 2 4 1 34 283.399 4 ↓
Mid Mid (pH 6-8) 1.37 10.02 -72.6 3 4 2 36 284.407 4 ↓
Lo Low (pH 4.5-6) 1.37 8.48 -90.23 3 4 2 39 284.407 4 ↓

Analogs

44686467
44686467
44686470
44686470

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8R)-N-[(4-imidazol-1-ylphenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (1S,8R)-N-[(4-imidazol-1-ylpheny…

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) 1.37 8.88 -38.79 2 4 1 34 283.399 4 ↓
Mid Mid (pH 6-8) 1.37 9.39 -72.42 3 4 2 36 284.407 4 ↓
Lo Low (pH 4.5-6) 1.37 8.06 -90.45 3 4 2 39 284.407 4 ↓

Parameters Provided:

ring.id = 564894
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 = 564894 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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