UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone (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) -1.52 -0.43 -17.1 1 6 0 88 294.332 1 ↓

Analogs

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Popular Name: (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone (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) -1.25 0.33 -16.18 1 6 0 88 308.359 2 ↓

Analogs

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Popular Name: (E)-3-[5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-pyridyl]prop-2-enoic (E)-3-[5-(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) -1.30 2.6 -53.91 0 7 -1 107 309.323 3 ↓

Analogs

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Popular Name: [5-(3-aminoprop-1-ynyl)-3-pyridyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone [5-(3-aminoprop-1-ynyl)-3-pyridy…

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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) -2.08 0.28 -67.24 3 6 1 95 294.356 1 ↓
Mid Mid (pH 6-8) -2.08 -0.13 -15.45 2 6 0 93 293.348 1 ↓

Analogs

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Popular Name: (5-bromo-3-pyridyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (5-bromo-3-pyridyl)-(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) -0.12 1.36 -14.05 0 5 0 67 319.18 1 ↓

Analogs

37996326
37996326

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

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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 1.14 -19.34 0 5 0 67 274.729 1 ↓

Analogs

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Popular Name: 4-(6-chloropyridine-3-carbonyl)-1$l^{6},4-thiomorpholine-1,1-dione 4-(6-chloropyridine-3-carbonyl)-…

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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) -0.05 1.18 -16.8 0 5 0 67 274.729 1 ↓

Analogs

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Popular Name: (5,6-dichloro-3-pyridyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (5,6-dichloro-3-pyridyl)-(1,1-di…

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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 1.65 -14.65 0 5 0 67 309.174 1 ↓

Analogs

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Popular Name: 5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)pyridine-2-carboxylic 5-(1,1-dioxo-1,4-thiazinane-4-ca…

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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 1.32 -56.32 0 7 -1 107 283.285 2 ↓

Parameters Provided:

ring.id = 3002
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 = 3002 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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