UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43608468
43608468

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Popular Name: N-[(S)-benzothiophen-2-yl(2-furyl)methyl]propan-1-amine N-[(S)-benzothiophen-2-yl(2-fury…

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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) 4.62 9.26 -36.56 2 2 1 30 272.393 5 ↓
Hi High (pH 8-9.5) 4.62 8.1 -6.05 1 2 0 25 271.385 5 ↓

Analogs

43608465
43608465

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Popular Name: N-[(R)-benzothiophen-2-yl(2-furyl)methyl]propan-1-amine N-[(R)-benzothiophen-2-yl(2-fury…

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) 4.62 9.26 -36.59 2 2 1 30 272.393 5 ↓
Hi High (pH 8-9.5) 4.62 8.02 -6.39 1 2 0 25 271.385 5 ↓

Parameters Provided:

ring.id = 1617
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 = 1617 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1617&filter.purchasability=annotated

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