UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36160739
36160739
36160819
36160819
36160825
36160825
36160828
36160828
36160832
36160832

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Popular Name: (2S)-2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (2S)-2-cyclohexyl-2-(1,1-dioxo-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) 0.69 0.49 -61.94 3 4 1 65 261.411 3 ↓

Analogs

36160819
36160819
36160825
36160825
36160828
36160828
36160832
36160832
36160735
36160735

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Popular Name: (2R)-2-cyclohexyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanamine (2R)-2-cyclohexyl-2-(1,1-dioxo-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) 0.69 0.46 -61.9 3 4 1 65 261.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexanamine 1-[(1,1-dioxo-1,4-thiazinan-4-yl…

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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) 0.99 0.36 -56.41 3 4 1 65 247.384 2 ↓

Parameters Provided:

ring.id = 78364
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 = 78364 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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