UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4903944
4903944

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Popular Name: (4-tert-butylphenyl)sulfonylBLAHone (4-tert-butylphenyl)sulfonylBLAHone

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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) 2.83 6.89 -21.88 1 6 0 85 399.468 3 ↓

Analogs

4903944
4903944

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Popular Name: p-tolylsulfonylBLAHone p-tolylsulfonylBLAHone

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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) 1.58 5.24 -22.48 1 6 0 85 357.387 2 ↓

Analogs

4903944
4903944

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Popular Name: (4-fluorophenyl)sulfonylBLAHone (4-fluorophenyl)sulfonylBLAHone

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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) 1.29 4.64 -21.1 1 6 0 85 361.35 2 ↓

Analogs

4903944
4903944
4169864
4169864

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Popular Name: (4-chlorophenyl)sulfonylBLAHone (4-chlorophenyl)sulfonylBLAHone

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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) 1.80 -4.03 -20.88 1 6 0 85 377.805 2 ↓

Analogs

4903944
4903944

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Popular Name: (4-ethoxyphenyl)sulfonylBLAHone (4-ethoxyphenyl)sulfonylBLAHone

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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) 1.56 4.79 -23.12 1 7 0 95 387.413 4 ↓

Analogs

8673170
8673170

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Popular Name: 8-(4-methylbenzoyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-9(6H)-one 8-(4-methylbenzoyl)-2,3-dihydro[…

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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) 2.02 7.62 -19.15 1 5 0 68 321.332 2 ↓
Mid Mid (pH 6-8) 3.32 6.2 -48.31 0 5 -1 71 320.324 2 ↓

Analogs

8673170
8673170

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Popular Name: 8-[(4-ethylphenyl)carbonyl]-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-9(6H)-one 8-[(4-ethylphenyl)carbonyl]-2,3-…

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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) 2.49 8.38 -18.95 1 5 0 68 335.359 3 ↓
Mid Mid (pH 6-8) 3.79 6.95 -48.04 0 5 -1 71 334.351 3 ↓

Analogs

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Popular Name: 8-methyl-7-(2-thienyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one 8-methyl-7-(2-thienyl)-3,6-dihyd…

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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) 2.19 6.64 -12.93 1 4 0 51 299.351 1 ↓

Analogs

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Popular Name: 8-methyl-7-(p-tolyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one 8-methyl-7-(p-tolyl)-3,6-dihydro…

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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 8.14 -13.31 1 4 0 51 307.349 1 ↓

Analogs

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Popular Name: 7-(2-furyl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one 7-(2-furyl)-8-methyl-3,6-dihydro…

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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) 1.55 5.77 -14.51 1 5 0 64 283.283 1 ↓

Analogs

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Popular Name: 7-(2-bromophenyl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one 7-(2-bromophenyl)-8-methyl-3,6-d…

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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) 3.17 8.17 -12.84 1 4 0 51 372.218 1 ↓

Analogs

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Popular Name: 7-(3-iodophenyl)-8-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-9-one 7-(3-iodophenyl)-8-methyl-3,6-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) 3.46 8.56 -14.09 1 4 0 51 419.218 1 ↓

Parameters Provided:

ring.id = 246932
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 = 246932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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