UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-cyclopentylethyl]-6,7-…

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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) 3.34 9.68 -10.29 0 2 0 22 231.339 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-cyclopentylethyl]-6,7-…

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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) 3.34 9.59 -10.23 0 2 0 22 231.339 2 ↓

Analogs

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

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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) 4.45 10.97 -10.06 0 2 0 22 273.42 2 ↓

Analogs

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

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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) 4.45 10.76 -10.13 0 2 0 22 273.42 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1S)-1-cyclopentylethyl]-6,6-…

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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) 4.23 10.6 -9.8 0 2 0 22 259.393 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopentylethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1R)-1-cyclopentylethyl]-6,6-…

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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) 4.23 10.51 -9.74 0 2 0 22 259.393 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopentylethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-cyclopentylethyl]-2-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) 3.56 10.04 -10.62 0 2 0 22 245.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclopentylethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-cyclopentylethyl]-2-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) 3.56 9.84 -10.66 0 2 0 22 245.366 2 ↓

Analogs

2190703
2190703
2190702
2190702
38285032
38285032

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Popular Name: 1-(cyclopentylmethyl)-2-methyl-6,7-dihydro-5H-indol-4-one 1-(cyclopentylmethyl)-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) 3.20 9.39 -11.02 0 2 0 22 231.339 2 ↓

Analogs

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Popular Name: 1-(cyclopentylmethyl)-6,7-dihydro-5H-indol-4-one 1-(cyclopentylmethyl)-6,7-dihydr…

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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 8.75 -10.66 0 2 0 22 217.312 2 ↓

Analogs

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Popular Name: 1-(cyclopentylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one 1-(cyclopentylmethyl)-6,6-dimeth…

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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) 3.86 9.67 -10.22 0 2 0 22 245.366 2 ↓

Parameters Provided:

ring.id = 534202
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 = 534202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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