UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36159871
36159871

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

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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) 2.45 5.91 -55.88 3 7 1 83 447.625 7 ↓
Hi High (pH 8-9.5) 2.90 3.32 -53.96 2 7 0 86 446.617 7 ↓
Hi High (pH 8-9.5) 2.45 4.08 -12.41 2 7 0 82 446.617 7 ↓

Analogs

36159867
36159867

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

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) 2.45 6.21 -55.8 3 7 1 83 447.625 7 ↓
Hi High (pH 8-9.5) 2.90 3.41 -54.67 2 7 0 86 446.617 7 ↓
Hi High (pH 8-9.5) 2.45 4.13 -14.68 2 7 0 82 446.617 7 ↓

Parameters Provided:

ring.id = 77620
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 = 77620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=77620&filter.purchasability=annotated

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