UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]triazole-4-carboxylic 1-[2-(1,1-dioxo-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) -1.04 -0.57 -57.37 0 8 -1 108 273.294 4 ↓
Lo Low (pH 4.5-6) -1.04 1.53 -91.87 1 8 0 109 274.302 4 ↓

Analogs

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Popular Name: 1-[1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[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) -1.06 -1.14 -54.67 2 7 1 85 274.37 5 ↓
Lo Low (pH 4.5-6) -1.06 0.95 -119.28 3 7 2 86 275.378 5 ↓

Analogs

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

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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) -0.68 -0.28 -53.93 2 7 1 85 288.397 6 ↓
Lo Low (pH 4.5-6) -0.68 1.81 -119.15 3 7 2 86 289.405 6 ↓

Analogs

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

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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) -0.18 0.47 -54.85 2 7 1 85 302.424 7 ↓
Lo Low (pH 4.5-6) -0.18 2.57 -120.44 3 7 2 86 303.432 7 ↓

Analogs

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

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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) -0.38 0.24 -52.06 2 7 1 85 302.424 6 ↓
Lo Low (pH 4.5-6) -0.38 2.33 -117.7 3 7 2 86 303.432 6 ↓

Analogs

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

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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) 0.13 0.67 -50.82 2 7 1 85 316.451 6 ↓
Lo Low (pH 4.5-6) 0.13 2.74 -117.09 3 7 2 86 317.459 6 ↓

Analogs

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

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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) 0.06 1.16 -54.67 2 7 1 85 316.451 7 ↓
Lo Low (pH 4.5-6) 0.06 3.26 -120.74 3 7 2 86 317.459 7 ↓

Analogs

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Popular Name: [1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methanamine [1-[2-(1,1-dioxo-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) -1.43 -3.01 -59.79 3 7 1 96 260.343 4 ↓
Lo Low (pH 4.5-6) -1.43 -0.92 -123.85 4 7 2 97 261.351 4 ↓

Parameters Provided:

ring.id = 79730
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 = 79730 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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