UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-methyl-1-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiazol-2-yl]methanamine N-methyl-1-[4-[(1-oxo-1,4-thiazi…

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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) -0.94 0.28 -47.67 2 4 1 50 260.408 4 ↓
Hi High (pH 8-9.5) -0.94 -1.17 -17.71 1 4 0 45 259.4 4 ↓
Lo Low (pH 4.5-6) -0.94 2.41 -106.47 3 4 2 51 261.416 4 ↓

Analogs

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Popular Name: N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[(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) -0.56 1.13 -46.83 2 4 1 50 274.435 5 ↓
Hi High (pH 8-9.5) -0.56 -0.23 -17.54 1 4 0 45 273.427 5 ↓
Lo Low (pH 4.5-6) -0.56 3.27 -106.15 3 4 2 51 275.443 5 ↓

Analogs

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Popular Name: N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiazol-2-yl]methyl]propan-1-amine N-[[4-[(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) -0.06 1.88 -47.46 2 4 1 50 288.462 6 ↓
Hi High (pH 8-9.5) -0.06 0.52 -17.4 1 4 0 45 287.454 6 ↓
Lo Low (pH 4.5-6) -0.06 4.02 -107.6 3 4 2 51 289.47 6 ↓

Analogs

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Popular Name: N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiazol-2-yl]methyl]propan-2-amine N-[[4-[(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) -0.27 1.66 -44.87 2 4 1 50 288.462 5 ↓
Hi High (pH 8-9.5) -0.27 0.44 -17.51 1 4 0 45 287.454 5 ↓
Lo Low (pH 4.5-6) -0.27 3.79 -105.15 3 4 2 51 289.47 5 ↓

Analogs

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

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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) 0.25 2.1 -43.35 2 4 1 50 302.489 5 ↓
Hi High (pH 8-9.5) 0.25 0.85 -17.22 1 4 0 45 301.481 5 ↓
Lo Low (pH 4.5-6) 0.25 4.24 -103.91 3 4 2 51 303.497 5 ↓

Analogs

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

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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 2.59 -47.45 2 4 1 50 302.489 6 ↓
Hi High (pH 8-9.5) 0.18 1.21 -17.31 1 4 0 45 301.481 6 ↓
Lo Low (pH 4.5-6) 0.18 4.72 -108.07 3 4 2 51 303.497 6 ↓

Analogs

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Popular Name: [4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiazol-2-yl]methanamine [4-[(1-oxo-1,4-thiazinan-4-yl)me…

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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) -1.31 -1.23 -55.33 3 4 1 61 246.381 3 ↓
Mid Mid (pH 6-8) -1.31 -1.63 -13.77 2 4 0 59 245.373 3 ↓
Lo Low (pH 4.5-6) -1.31 0.93 -112.74 4 4 2 62 247.389 3 ↓

Parameters Provided:

ring.id = 249459
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 = 249459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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