UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38285032
38285032

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Popular Name: 2-methyl-1-(2-pyridylmethyl)-6,7-dihydro-5H-indol-4-one 2-methyl-1-(2-pyridylmethyl)-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) 1.84 8.35 -15.27 0 3 0 35 240.306 2 ↓

Analogs

1719363
1719363
38285032
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-pyridylmethyl)-6,7-dihydro-5H-indol-4-one 1-(2-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) 1.62 7.79 -12.93 0 3 0 35 226.279 2 ↓

Analogs

3672597
3672597
38285032
38285032

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Popular Name: 2,6,6-trimethyl-1-(2-pyridylmethyl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(2-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) 2.73 9.27 -14.7 0 3 0 35 268.36 2 ↓

Analogs

1719363
1719363
3672597
3672597

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-(2-pyridylmethyl)-5,7-dihydroindol-4-one 6,6-dimethyl-1-(2-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) 2.50 8.72 -12.47 0 3 0 35 254.333 2 ↓

Analogs

38285032
38285032

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Popular Name: 2-methyl-1-[(1S)-1-(2-pyridyl)ethyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1S)-1-(2-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) 2.20 8 -14.25 0 3 0 35 254.333 2 ↓

Analogs

38285032
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-1-[(1R)-1-(2-pyridyl)ethyl]-6,7-dihydro-5H-indol-4-one 2-methyl-1-[(1R)-1-(2-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) 2.20 8.07 -13.1 0 3 0 35 254.333 2 ↓

Analogs

1719363
1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2-pyridyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(2-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) 1.98 7.95 -12.64 0 3 0 35 240.306 2 ↓

Analogs

1719363
1719363

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(2-pyridyl)ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(2-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) 1.98 7.95 -12.31 0 3 0 35 240.306 2 ↓

Analogs

3672597
3672597
38285032
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-[(1S)-1-(2-pyridyl)ethyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1S)-1-(2-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) 3.09 8.92 -13.69 0 3 0 35 282.387 2 ↓

Analogs

3672597
3672597
38285032
38285032

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6,6-trimethyl-1-[(1R)-1-(2-pyridyl)ethyl]-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-[(1R)-1-(2-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) 3.09 8.99 -12.44 0 3 0 35 282.387 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1S)-1-(2-pyridyl)ethyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1S)-1-(2-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) 2.87 8.88 -12.08 0 3 0 35 268.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6,6-dimethyl-1-[(1R)-1-(2-pyridyl)ethyl]-5,7-dihydroindol-4-one 6,6-dimethyl-1-[(1R)-1-(2-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) 2.87 8.88 -11.69 0 3 0 35 268.36 2 ↓

Parameters Provided:

ring.id = 569382
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 = 569382 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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