UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36159830
36159830

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Popular Name: [cyclohexyl-[(2R)-3-(2-furylmethoxy)-2-hydroxy-propyl]amino]methylBLAHone [cyclohexyl-[(2R)-3-(2-furylmeth…

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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) 3.41 8.99 -58.54 3 7 1 93 458.604 9 ↓
Hi High (pH 8-9.5) 3.87 6.46 -57.51 2 7 0 96 457.596 9 ↓
Hi High (pH 8-9.5) 3.41 6.97 -18.96 2 7 0 92 457.596 9 ↓

Analogs

36159826
36159826

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Popular Name: [cyclohexyl-[(2S)-3-(2-furylmethoxy)-2-hydroxy-propyl]amino]methylBLAHone [cyclohexyl-[(2S)-3-(2-furylmeth…

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) 3.41 8.67 -59.42 3 7 1 93 458.604 9 ↓
Hi High (pH 8-9.5) 3.87 6.13 -57.26 2 7 0 96 457.596 9 ↓
Hi High (pH 8-9.5) 3.41 6.87 -16.39 2 7 0 92 457.596 9 ↓

Parameters Provided:

ring.id = 77578
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 = 77578 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=77578&filter.purchasability=annotated

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