UCSF
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Popular Name: 5-(5-methylfuran-2-carbonyl)indolin-2-one 5-(5-methylfuran-2-carbonyl)indo…

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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 5.42 -9.74 1 4 0 59 241.246 2 ↓

Analogs

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Popular Name: 5-(5-nitrofuran-2-carbonyl)indolin-2-one 5-(5-nitrofuran-2-carbonyl)indol…

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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) 1.88 5.27 -9.55 1 7 0 105 272.216 3 ↓

Analogs

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Popular Name: 5-(3-methylfuran-2-carbonyl)indolin-2-one 5-(3-methylfuran-2-carbonyl)indo…

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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) 2.17 5.28 -10.13 1 4 0 59 241.246 2 ↓

Analogs

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Popular Name: 5-(furan-2-carbonyl)indolin-2-one 5-(furan-2-carbonyl)indolin-2-one

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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 4.6 -10.29 1 4 0 59 227.219 2 ↓

Analogs

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Popular Name: 5-(5-bromofuran-2-carbonyl)indolin-2-one 5-(5-bromofuran-2-carbonyl)indol…

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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) 2.73 5.32 -7.64 1 4 0 59 306.115 2 ↓

Analogs

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Popular Name: 1-methyl-5-(5-methylfuran-2-carbonyl)indolin-2-one 1-methyl-5-(5-methylfuran-2-carb…

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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) 2.26 7.37 -9.96 0 4 0 51 255.273 2 ↓

Analogs

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Popular Name: 1-methyl-5-(5-nitrofuran-2-carbonyl)indolin-2-one 1-methyl-5-(5-nitrofuran-2-carbo…

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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) 2.13 7.26 -9.84 0 7 0 96 286.243 3 ↓

Analogs

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Popular Name: 1-methyl-5-(3-methylfuran-2-carbonyl)indolin-2-one 1-methyl-5-(3-methylfuran-2-carb…

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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) 2.42 7.24 -10.35 0 4 0 51 255.273 2 ↓

Analogs

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Popular Name: 5-(furan-2-carbonyl)-1-methyl-indolin-2-one 5-(furan-2-carbonyl)-1-methyl-in…

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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) 2.04 6.58 -10.37 0 4 0 51 241.246 2 ↓

Analogs

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Popular Name: 5-(5-bromofuran-2-carbonyl)-1-methyl-indolin-2-one 5-(5-bromofuran-2-carbonyl)-1-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) 2.98 7.31 -7.82 0 4 0 51 320.142 2 ↓

Parameters Provided:

ring.id = 16227
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 = 16227 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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