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Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)tetrazole-5-thiol 1-(1,1-dioxothian-4-yl)tetrazole…

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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 0.56 -38.77 0 6 -1 78 233.298 1 ↓

Analogs

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Popular Name: 2-[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]sulfanylacetic 2-[1-(1,1-dioxothian-4-yl)tetraz…

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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) -0.73 1.88 -46.58 0 8 -1 118 291.334 4 ↓

Analogs

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Popular Name: 4-[5-(chloromethyl)tetrazol-1-yl]thiane 4-[5-(chloromethyl)tetrazol-1-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) -0.21 1.21 -21.38 0 6 0 78 250.711 2 ↓

Analogs

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Popular Name: N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-(1,1-dioxothian-4-yl)tetra…

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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) -0.10 2.15 -74.05 2 7 1 94 288.397 5 ↓
Hi High (pH 8-9.5) -0.10 0.96 -19.14 1 7 0 90 287.389 5 ↓

Analogs

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Popular Name: N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-(1,1-dioxothian-4-yl)tetra…

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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) -1.24 -0.16 -75.29 2 8 1 104 290.369 6 ↓
Mid Mid (pH 6-8) -1.24 -1.49 -21.44 1 8 0 99 289.361 6 ↓

Analogs

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Popular Name: [1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methanamine [1-(1,1-dioxothian-4-yl)tetrazol…

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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) -1.60 -2.02 -80.87 3 7 1 105 232.289 2 ↓
Hi High (pH 8-9.5) -1.60 -2.41 -22.84 2 7 0 104 231.281 2 ↓

Analogs

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Popular Name: 1-[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]-N-methyl-methanamine 1-[1-(1,1-dioxothian-4-yl)tetraz…

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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) -1.23 -0.14 -73.91 2 7 1 94 246.316 3 ↓
Hi High (pH 8-9.5) -1.23 -1.57 -19.39 1 7 0 90 245.308 3 ↓

Analogs

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Popular Name: N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]ethanamine N-[[1-(1,1-dioxothian-4-yl)tetra…

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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) -0.85 0.71 -73.19 2 7 1 94 260.343 4 ↓
Hi High (pH 8-9.5) -0.85 -0.65 -19.31 1 7 0 90 259.335 4 ↓

Analogs

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Popular Name: N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]propan-1-amine N-[[1-(1,1-dioxothian-4-yl)tetra…

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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) -0.35 1.46 -74.31 2 7 1 94 274.37 5 ↓
Hi High (pH 8-9.5) -0.35 0.13 -19.22 1 7 0 90 273.362 5 ↓

Analogs

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Popular Name: N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]propan-2-amine N-[[1-(1,1-dioxothian-4-yl)tetra…

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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) -0.56 1.24 -71.44 2 7 1 94 274.37 4 ↓
Hi High (pH 8-9.5) -0.56 0.02 -18.84 1 7 0 90 273.362 4 ↓

Analogs

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Popular Name: N-[[1-(1,1-dioxothian-4-yl)tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-(1,1-dioxothian-4-yl)tetra…

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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) -0.04 1.67 -67.82 2 7 1 94 288.397 4 ↓
Hi High (pH 8-9.5) -0.04 0.44 -18.75 1 7 0 90 287.389 4 ↓

Parameters Provided:

ring.id = 90011
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 = 90011 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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