UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

69729531
69729531
69730208
69730208

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Popular Name: N-(3-furylmethyl)-N-methyl-2-(4-piperidyl)ethanamine N-(3-furylmethyl)-N-methyl-2-(4-…

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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) 1.35 6.64 -90.94 3 3 2 34 224.348 5 ↓
Hi High (pH 8-9.5) 1.35 4.31 -39.32 2 3 1 33 223.34 5 ↓

Analogs

52376935
52376935
52376936
52376936
52421214
52421214
52421215
52421215
52421219
52421219

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Popular Name: N-methyl-N-[(2-methyl-3-furyl)methyl]-2-(4-piperidyl)ethanamine N-methyl-N-[(2-methyl-3-furyl)me…

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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) 1.57 7.49 -92.68 3 3 2 34 238.375 5 ↓
Hi High (pH 8-9.5) 1.57 5.2 -40.36 2 3 1 33 237.367 5 ↓

Parameters Provided:

ring.id = 619119
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 = 619119 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=619119&filter.purchasability=annotated

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