UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36159822
36159822

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

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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) 4.25 10.41 -58.45 3 6 1 80 454.616 8 ↓
Hi High (pH 8-9.5) 4.71 7.89 -56.38 2 6 0 83 453.608 8 ↓
Hi High (pH 8-9.5) 4.25 8.4 -17.01 2 6 0 78 453.608 8 ↓

Analogs

36159817
36159817

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

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) 4.25 10.09 -59.07 3 6 1 80 454.616 8 ↓
Hi High (pH 8-9.5) 4.71 7.55 -55.93 2 6 0 83 453.608 8 ↓
Hi High (pH 8-9.5) 4.25 8.3 -14.33 2 6 0 78 453.608 8 ↓

Parameters Provided:

ring.id = 77569
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 = 77569 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=77569&filter.purchasability=annotated

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