UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(1S)-2-(2-furyl)-1-methyl-ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 2.84 8.98 -12.56 0 3 0 35 257.333 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-(2-furyl)-1-methyl-ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 2.84 9.05 -11.46 0 3 0 35 257.333 3 ↓

Analogs

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Popular Name: 1-[(1S)-2-(2-furyl)-1-methyl-ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 2.62 8.74 -11.42 0 3 0 35 243.306 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-(2-furyl)-1-methyl-ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 2.62 8.81 -11.59 0 3 0 35 243.306 3 ↓

Analogs

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Popular Name: 1-[(1S)-2-(2-furyl)-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1S)-2-(2-furyl)-1-methyl-eth…

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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) 3.73 9.9 -11.95 0 3 0 35 285.387 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-(2-furyl)-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1R)-2-(2-furyl)-1-methyl-eth…

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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) 3.73 9.97 -10.85 0 3 0 35 285.387 3 ↓

Analogs

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Popular Name: 1-[(1S)-2-(2-furyl)-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1S)-2-(2-furyl)-1-methyl-eth…

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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 9.67 -10.9 0 3 0 35 271.36 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-(2-furyl)-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1R)-2-(2-furyl)-1-methyl-eth…

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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 9.75 -11.06 0 3 0 35 271.36 3 ↓

Analogs

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Popular Name: 1-[2-(2-furyl)ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[2-(2-furyl)ethyl]-2-methyl-6,…

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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) 2.48 8.9 -12.13 0 3 0 35 243.306 3 ↓

Analogs

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Popular Name: 1-[2-(2-furyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[2-(2-furyl)ethyl]-6,7-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) 2.25 8.38 -12.75 0 3 0 35 229.279 3 ↓

Analogs

12745113
12745113
12749297
12749297
12472529
12472529

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Popular Name: 1-[2-(2-furyl)ethyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[2-(2-furyl)ethyl]-2,6,6-trime…

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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) 3.36 9.82 -11.5 0 3 0 35 271.36 3 ↓

Analogs

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Popular Name: 1-[2-(2-furyl)ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[2-(2-furyl)ethyl]-6,6-dimethy…

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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) 3.14 9.31 -12.21 0 3 0 35 257.333 3 ↓

Parameters Provided:

ring.id = 571508
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 = 571508 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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