UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-N-[2-[(2R)-1-methyl-2-piperidyl]ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[2-[(2R)-1-methyl-2-piper…

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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) 2.38 9.56 -107 3 2 2 21 280.481 4 ↓
Mid Mid (pH 6-8) 2.38 8.28 -33.36 2 2 1 16 279.473 4 ↓
Mid Mid (pH 6-8) 2.38 7.28 -41.1 2 2 1 20 279.473 4 ↓

Analogs

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Popular Name: (4R)-N-[2-[(2S)-1-methyl-2-piperidyl]ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[2-[(2S)-1-methyl-2-piper…

Find On: PubMed — Wikipedia — Google

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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) 2.38 9.57 -106.92 3 2 2 21 280.481 4 ↓
Mid Mid (pH 6-8) 2.38 8.39 -33.58 2 2 1 16 279.473 4 ↓
Mid Mid (pH 6-8) 2.38 7.27 -41.11 2 2 1 20 279.473 4 ↓

Parameters Provided:

ring.id = 211901
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 = 211901 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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