UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 8-(diethylaminomethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-chromen-4-one 8-(diethylaminomethyl)-3-(2,3-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) 3.50 8.27 -48.4 2 6 1 73 382.436 5 ↓
Hi High (pH 8-9.5) 3.50 8.85 -35.55 1 6 0 76 381.428 5 ↓

Analogs

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Popular Name: 2,6-diethyl-7-methoxy-3-(6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)chromen-4-one 2,6-diethyl-7-methoxy-3-(6-methy…

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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) 5.09 10.09 -11.69 0 5 0 58 380.44 4 ↓

Analogs

6383623
6383623

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Popular Name: 5-hydroxy-7-methoxy-2-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one 5-hydroxy-7-methoxy-2-methyl-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) 3.39 6.31 -12.97 1 6 0 78 354.358 2 ↓
Hi High (pH 8-9.5) 3.39 7.29 -58.31 0 6 -1 81 353.35 2 ↓

Analogs

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Popular Name: 6-ethyl-7-methoxy-3-(6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(trifluoromethyl)chromen-4-one 6-ethyl-7-methoxy-3-(6-methyl-2,…

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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) 5.44 9.62 -9.44 0 5 0 58 420.383 4 ↓

Analogs

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Popular Name: 6-(dimethylaminomethyl)-7-hydroxy-2,8-dimethyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)chromen- 6-(dimethylaminomethyl)-7-hydrox…

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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) 3.51 8.57 -46.44 2 6 1 73 396.463 3 ↓
Hi High (pH 8-9.5) 3.51 9.38 -31.87 1 6 0 76 395.455 3 ↓
Hi High (pH 8-9.5) 3.51 6.01 -11.34 1 6 0 72 395.455 3 ↓

Analogs

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Popular Name: [2,5-dimethyl-3-(6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-chromen-7-yl] [2,5-dimethyl-3-(6-methyl-2,3-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) 3.55 10.51 -13.71 0 6 0 75 380.396 3 ↓

Analogs

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Popular Name: 5,7-dihydroxy-2-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one 5,7-dihydroxy-2-methyl-3-(7-meth…

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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) 2.85 4.17 -14.13 2 6 0 89 340.331 1 ↓

Analogs

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Popular Name: 5,7-dimethoxy-2-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one 5,7-dimethoxy-2-methyl-3-(7-meth…

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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) 3.66 8.35 -14.74 0 6 0 67 368.385 3 ↓

Analogs

6383623
6383623

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Popular Name: [7-acetoxy-2-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-chromen-5-yl] [7-acetoxy-2-methyl-3-(7-methyl-…

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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) 2.65 11.78 -18.22 0 8 0 101 424.405 5 ↓

Analogs

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Popular Name: (2R)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric-acid-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4 (2R)-2-(tert-butoxycarbonylamino…

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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) 5.99 11.83 -15.08 1 9 0 113 541.622 10 ↓

Analogs

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Popular Name: (2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric-acid-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4 (2S)-2-(tert-butoxycarbonylamino…

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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) 5.99 11.84 -15.03 1 9 0 113 541.622 10 ↓

Parameters Provided:

ring.id = 71576
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 = 71576 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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