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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-1-(cyclohexylmethyl)-3-hydroxy-3-[[2-(1H-imidazol-4-yl)ethylamino]methyl]piperidin-2-one (3R)-1-(cyclohexylmethyl)-3-hydr…

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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) 1.25 5.98 -43.14 4 6 1 86 335.472 7 ↓
Hi High (pH 8-9.5) 1.25 5.45 -11.23 3 6 0 81 334.464 7 ↓
Lo Low (pH 4.5-6) 1.25 6.45 -102.75 5 6 2 87 336.48 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[[2-(1H-imidazol-4-yl)ethylamino]methyl]piperidin-2-one (3S)-1-(cyclohexylmethyl)-3-hydr…

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) 1.25 6.07 -43.72 4 6 1 86 335.472 7 ↓
Hi High (pH 8-9.5) 1.25 4.72 -11.52 3 6 0 81 334.464 7 ↓
Lo Low (pH 4.5-6) 1.25 6.55 -101.75 5 6 2 87 336.48 7 ↓

Parameters Provided:

ring.id = 585645
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 = 585645 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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