UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-methyl-1-[1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methanamine N-methyl-1-[1-[2-(1-oxo-1,4-thia…

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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) -1.46 -0.1 -55.44 2 6 1 68 258.371 5 ↓
Hi High (pH 8-9.5) -1.46 -1.56 -18.55 1 6 0 63 257.363 5 ↓
Mid Mid (pH 6-8) -1.46 2.01 -112.46 3 6 2 69 259.379 5 ↓

Analogs

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Popular Name: N-[[1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(1-oxo-1,4-thiazinan-4-…

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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) -1.08 0.76 -54.69 2 6 1 68 272.398 6 ↓
Hi High (pH 8-9.5) -1.08 -0.62 -18.39 1 6 0 63 271.39 6 ↓
Mid Mid (pH 6-8) -1.08 2.87 -112.32 3 6 2 69 273.406 6 ↓

Analogs

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Popular Name: N-[[1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine N-[[1-[2-(1-oxo-1,4-thiazinan-4-…

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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) -0.58 1.51 -55.57 2 6 1 68 286.425 7 ↓
Mid Mid (pH 6-8) -0.58 3.62 -113.61 3 6 2 69 287.433 7 ↓

Analogs

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Popular Name: N-[[1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-(1-oxo-1,4-thiazinan-4-…

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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 1.28 -52.82 2 6 1 68 286.425 6 ↓
Hi High (pH 8-9.5) -0.79 0.06 -18.05 1 6 0 63 285.417 6 ↓
Mid Mid (pH 6-8) -0.79 3.39 -111.77 3 6 2 69 287.433 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]propan-2-amine 2-methyl-N-[[1-[2-(1-oxo-1,4-thi…

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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) -0.27 1.71 -51.5 2 6 1 68 300.452 6 ↓
Hi High (pH 8-9.5) -0.27 0.47 -17.97 1 6 0 63 299.444 6 ↓
Mid Mid (pH 6-8) -0.27 3.82 -110.16 3 6 2 69 301.46 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine 2-methyl-N-[[1-[2-(1-oxo-1,4-thi…

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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) -0.34 2.2 -55.45 2 6 1 68 300.452 7 ↓
Mid Mid (pH 6-8) -0.34 4.31 -113.85 3 6 2 69 301.46 7 ↓

Analogs

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Popular Name: [1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methanamine [1-[2-(1-oxo-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) -1.83 -1.97 -60.55 3 6 1 79 244.344 4 ↓
Hi High (pH 8-9.5) -1.83 -2.38 -18.84 2 6 0 77 243.336 4 ↓
Mid Mid (pH 6-8) -1.83 0.13 -117.07 4 6 2 80 245.352 4 ↓

Parameters Provided:

ring.id = 249531
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 = 249531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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