UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44686478
44686478
44686481
44686481
44686483
44686483
44686486
44686486

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Popular Name: (1R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-furyl)-1-(1-methylimidazol-2-yl)methanamine (1R)-N-[[(2R)-1-ethylpyrrolidin-…

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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) 1.49 8.01 -84.27 3 5 2 49 290.411 6 ↓
Hi High (pH 8-9.5) 1.49 5.12 -9.27 1 5 0 46 288.395 6 ↓
Mid Mid (pH 6-8) 1.49 7.36 -33.45 2 5 1 47 289.403 6 ↓

Analogs

44686478
44686478
44686481
44686481
44686483
44686483
44686486
44686486

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-furyl)-1-(1-methylimidazol-2-yl)methanamine (1R)-N-[[(2S)-1-ethylpyrrolidin-…

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) 1.49 7.25 -84.28 3 5 2 49 290.411 6 ↓
Hi High (pH 8-9.5) 1.49 4.34 -9.13 1 5 0 46 288.395 6 ↓
Mid Mid (pH 6-8) 1.49 6.67 -38.44 2 5 1 47 289.403 6 ↓

Parameters Provided:

ring.id = 548164
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 = 548164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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