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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-(2-fluorophenyl)-3-hydroxy-7-oxa-9-thiabicyclo[4.3.0]nona-1,3,5-trien-8-one 5-(2-fluorophenyl)-3-hydroxy-7-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) 3.26 0.68 -10.29 1 3 0 50 262.261 1 ↓

Analogs

19865044
19865044

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Popular Name: 6-[(2R)-2-hydroxy-3-methylamino-propoxy]-1,3-benzoxathiol-2-one 6-[(2R)-2-hydroxy-3-methylamino-…

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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) 1.09 2.29 -47.93 3 5 1 76 256.303 5 ↓
Hi High (pH 8-9.5) 1.09 0.72 -9.66 2 5 0 72 255.295 5 ↓

Analogs

19865041
19865041

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Popular Name: 6-[(2S)-2-hydroxy-3-methylamino-propoxy]-1,3-benzoxathiol-2-one 6-[(2S)-2-hydroxy-3-methylamino-…

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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) 1.09 2.33 -47.64 3 5 1 76 256.303 5 ↓
Hi High (pH 8-9.5) 1.09 0.84 -8.52 2 5 0 72 255.295 5 ↓

Analogs

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Popular Name: 4-[(2-oxo-1,3-benzoxathiol-6-yl)oxymethyl]benzoic 4-[(2-oxo-1,3-benzoxathiol-6-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) 3.46 7.95 -56.35 0 5 -1 80 301.299 4 ↓

Analogs

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Popular Name: 5-hydroxy-7-(2-nitrophenyl)-1,3-benzoxathiol-2-one 5-hydroxy-7-(2-nitrophenyl)-1,3-…

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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) 3.05 0.52 -15.9 1 6 0 96 289.268 2 ↓

Analogs

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Popular Name: 7-(4-ethoxyphenyl)-5-hydroxy-1,3-benzoxathiol-2-one 7-(4-ethoxyphenyl)-5-hydroxy-1,3…

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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) 3.57 -0.05 -8.22 1 4 0 59 288.324 3 ↓

Analogs

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Popular Name: 3-chlorobenzothiophene-2-carboxylic-acid-(2-keto-7-phenyl-1,3-benzoxathiol-6-yl)-ester 3-chlorobenzothiophene-2-carboxy…

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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) 6.96 2.45 -12.94 0 4 0 56 438.913 4 ↓

Analogs

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Popular Name: 3-[(5Z)-5-(4-fluorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propionic-acid-[2-keto-4-(p-tolyl)- 3-[(5Z)-5-(4-fluorobenzylidene)-…

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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) 5.43 17.11 -14.94 0 6 0 79 551.642 7 ↓

Analogs

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Popular Name: (2-oxo-1,3-benzoxathiol-6-yl) (2-oxo-1,3-benzoxathiol-6-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) 3.08 7.25 -12.97 0 7 0 94 379.415 5 ↓

Analogs

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Popular Name: 5-hydroxy-4,7-diphenyl-1,3-benzoxathiol-2-one 5-hydroxy-4,7-diphenyl-1,3-benzo…

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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) 5.12 0.57 -7.55 1 3 0 50 320.369 2 ↓

Analogs

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Popular Name: (4-bromo-8-oxo-7-oxa-9-thiabicyclo[4.3.0]nona-1,3,5-trien-3-yl) (4-bromo-8-oxo-7-oxa-9-thiabicyc…

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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) 3.71 -0.08 -7.44 1 5 0 68 366.192 3 ↓

Analogs

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Popular Name: (3Z,5E)-3,5-bis[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]-1-methyl-piperidin-4-one (3Z,5E)-3,5-bis[(7-methoxy-2-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) 3.84 9.41 -18.42 0 8 0 99 497.55 4 ↓

Parameters Provided:

ring.id = 3447
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 = 3447 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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