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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1719363
1719363

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Popular Name: 1-(4-pyridylmethyl)-6,7-dihydro-5H-indol-4-one 1-(4-pyridylmethyl)-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) 1.50 7.67 -15.11 0 3 0 35 226.279 2 ↓
Lo Low (pH 4.5-6) 1.50 8.13 -50.98 1 3 1 36 227.287 2 ↓

Analogs

38285032
38285032

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Popular Name: 2,6,6-trimethyl-1-(4-pyridylmethyl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(4-pyridylmeth…

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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) 2.61 8.85 -14.83 0 3 0 35 268.36 2 ↓
Lo Low (pH 4.5-6) 2.61 9.3 -50.91 1 3 1 36 269.368 2 ↓

Analogs

1719363
1719363
3672597
3672597

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

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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) 2.39 8.59 -14.56 0 3 0 35 254.333 2 ↓
Lo Low (pH 4.5-6) 2.39 9.05 -51.26 1 3 1 36 255.341 2 ↓

Analogs

38285032
38285032

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

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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) 2.08 7.93 -13.39 0 3 0 35 254.333 2 ↓
Lo Low (pH 4.5-6) 2.08 8.4 -48.94 1 3 1 36 255.341 2 ↓

Analogs

38285032
38285032

Draw Identity 99% 90% 80% 70%

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

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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) 2.08 8.21 -13.66 0 3 0 35 254.333 2 ↓
Lo Low (pH 4.5-6) 2.08 8.67 -48.74 1 3 1 36 255.341 2 ↓

Analogs

1719363
1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(4-pyridyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(4-pyridyl)ethyl]-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) 1.86 7.91 -14.19 0 3 0 35 240.306 2 ↓
Lo Low (pH 4.5-6) 1.86 8.37 -48.3 1 3 1 36 241.314 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(4-pyridyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(4-pyridyl)ethyl]-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) 1.86 7.91 -14.02 0 3 0 35 240.306 2 ↓
Lo Low (pH 4.5-6) 1.86 8.37 -48.71 1 3 1 36 241.314 2 ↓

Analogs

38285032
38285032

Draw Identity 99% 90% 80% 70%

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

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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) 2.97 8.85 -12.82 0 3 0 35 282.387 2 ↓
Lo Low (pH 4.5-6) 2.97 9.32 -48.84 1 3 1 36 283.395 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.97 9.08 -13.06 0 3 0 35 282.387 2 ↓
Lo Low (pH 4.5-6) 2.97 9.54 -49.04 1 3 1 36 283.395 2 ↓

Analogs

1719363
1719363
3672597
3672597

Draw Identity 99% 90% 80% 70%

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

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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) 2.75 8.83 -13.65 0 3 0 35 268.36 2 ↓
Lo Low (pH 4.5-6) 2.75 9.29 -48.29 1 3 1 36 269.368 2 ↓

Analogs

1719363
1719363
3672597
3672597

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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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) 2.75 8.83 -13.38 0 3 0 35 268.36 2 ↓
Lo Low (pH 4.5-6) 2.75 9.29 -48.71 1 3 1 36 269.368 2 ↓

Parameters Provided:

ring.id = 571381
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 = 571381 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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