UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [3-(2-aminoethyl)phenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone [3-(2-aminoethyl)phenyl]-(1-oxo-…

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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) -1.28 2.34 -60.74 3 4 1 65 267.374 3 ↓

Analogs

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Popular Name: (3-amino-4-nitro-phenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (3-amino-4-nitro-phenyl)-(1-oxo-…

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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) -0.87 2.33 -20.11 2 7 0 109 283.309 2 ↓

Analogs

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Popular Name: [3-(methylamino)-4-nitro-phenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone [3-(methylamino)-4-nitro-phenyl]…

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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) -0.49 3.26 -20.1 1 7 0 95 297.336 3 ↓

Analogs

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Popular Name: [3-(ethylamino)-4-nitro-phenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone [3-(ethylamino)-4-nitro-phenyl]-…

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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 4.07 -19.79 1 7 0 95 311.363 4 ↓

Analogs

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Popular Name: (3-hydrazino-4-nitro-phenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (3-hydrazino-4-nitro-phenyl)-(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) -1.11 2.07 -20.2 3 8 0 121 298.324 3 ↓

Analogs

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Popular Name: (3-fluoro-4-nitro-phenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (3-fluoro-4-nitro-phenyl)-(1-oxo…

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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) -0.19 4.27 -21.33 0 6 0 83 286.284 2 ↓

Analogs

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Popular Name: [2-(isopropylamino)phenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone [2-(isopropylamino)phenyl]-(1-ox…

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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) 0.91 4.01 -17.05 1 4 0 49 280.393 3 ↓

Analogs

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Popular Name: (2-amino-4-fluoro-phenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (2-amino-4-fluoro-phenyl)-(1-oxo…

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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) -0.66 1.63 -16.88 2 4 0 63 256.302 1 ↓

Analogs

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Popular Name: [4-(ethylamino)-3,5-difluoro-phenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone [4-(ethylamino)-3,5-difluoro-phe…

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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 3.24 -17.43 1 4 0 49 302.346 3 ↓

Analogs

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Popular Name: [3,5-difluoro-4-(propylamino)phenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone [3,5-difluoro-4-(propylamino)phe…

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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 4 -17.35 1 4 0 49 316.373 4 ↓

Analogs

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Popular Name: (4-amino-3,5-difluoro-phenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (4-amino-3,5-difluoro-phenyl)-(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) -0.57 1.6 -17.73 2 4 0 63 274.292 1 ↓

Analogs

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Popular Name: [3,5-difluoro-4-(methylamino)phenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone [3,5-difluoro-4-(methylamino)phe…

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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) -0.20 2.43 -17.76 1 4 0 49 288.319 2 ↓

Analogs

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Popular Name: (3,5-difluoro-4-hydrazino-phenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (3,5-difluoro-4-hydrazino-phenyl…

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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) -0.81 1.41 -18.8 3 5 0 75 289.307 2 ↓

Analogs

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Popular Name: (1-oxo-1,4-thiazinan-4-yl)-(3,4,5-trifluorophenyl)methanone (1-oxo-1,4-thiazinan-4-yl)-(3,4,…

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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) 0.11 3.74 -17.9 0 3 0 37 277.267 1 ↓

Analogs

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Popular Name: (4-ethoxy-3-methoxy-phenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (4-ethoxy-3-methoxy-phenyl)-(1-o…

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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 3.7 -20.8 0 5 0 56 297.376 4 ↓

Analogs

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Popular Name: (2-methyl-5-methylsulfanyl-phenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (2-methyl-5-methylsulfanyl-pheny…

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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) 0.57 5.17 -18.32 0 3 0 37 283.418 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 108916 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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