UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44686927
44686927
44686929
44686929
44686931
44686931
44686933
44686933

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-furyl)methanamine (1S)-1-(5-chloro-2-thienyl)-N-[[…

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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) 4.03 8.91 -31.94 2 3 1 30 325.885 6 ↓
Hi High (pH 8-9.5) 4.03 6.66 -3.76 1 3 0 28 324.877 6 ↓
Lo Low (pH 4.5-6) 4.03 10.01 -113.18 3 3 2 34 326.893 6 ↓

Analogs

44686927
44686927
44686929
44686929
44686931
44686931
44686933
44686933

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-furyl)methanamine (1S)-1-(5-chloro-2-thienyl)-N-[[…

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) 4.03 8.21 -35.13 2 3 1 30 325.885 6 ↓
Hi High (pH 8-9.5) 4.03 5.88 -3.72 1 3 0 28 324.877 6 ↓
Lo Low (pH 4.5-6) 4.03 9.35 -109.85 3 3 2 34 326.893 6 ↓

Parameters Provided:

ring.id = 548173
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 = 548173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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