UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36160678
36160678

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Popular Name: (2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(3-pyridyl)ethanamine (2S)-2-(1,1-dioxo-1,4-thiazinan-…

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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 -0.64 -61.89 3 5 1 78 256.351 3 ↓
Hi High (pH 8-9.5) -1.25 -1.64 -12.03 2 5 0 76 255.343 3 ↓

Analogs

36160674
36160674

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Popular Name: (2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(3-pyridyl)ethanamine (2R)-2-(1,1-dioxo-1,4-thiazinan-…

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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 -0.64 -61.84 3 5 1 78 256.351 3 ↓
Hi High (pH 8-9.5) -1.25 -2.28 -13.09 2 5 0 76 255.343 3 ↓

Analogs

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Popular Name: 4-[(6-chloro-3-pyridyl)methyl]-1,4-thiazinane 4-[(6-chloro-3-pyridyl)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) 0.79 0.83 -14.28 0 4 0 50 260.746 2 ↓
Mid Mid (pH 6-8) 0.79 2.95 -64.03 1 4 1 51 261.754 2 ↓

Parameters Provided:

ring.id = 78299
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 = 78299 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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