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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-(tetrahydropyran-4-ylmethyl)thian-3-amine (3S)-3-(aminomethyl)-N-methyl-1,…

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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) -0.24 -0.32 -48.46 3 5 1 74 291.437 4 ↓
Hi High (pH 8-9.5) -0.24 -1.09 -10.33 2 5 0 73 290.429 4 ↓
Lo Low (pH 4.5-6) -0.24 1.45 -137.02 4 5 2 75 292.445 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(aminomethyl)-N-methyl-1,1-dioxo-N-(tetrahydropyran-4-ylmethyl)thian-3-amine (3R)-3-(aminomethyl)-N-methyl-1,…

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) -0.24 -0.42 -54.89 3 5 1 74 291.437 4 ↓
Hi High (pH 8-9.5) -0.24 -0.97 -11.33 2 5 0 73 290.429 4 ↓
Lo Low (pH 4.5-6) -0.24 1.15 -145.14 4 5 2 75 292.445 4 ↓

Parameters Provided:

ring.id = 288049
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 = 288049 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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