UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-methyl-1-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-indol-4-one 2-methyl-1-(1-methylpyrazol-4-yl…

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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) 1.49 7.18 -12.25 0 4 0 40 229.283 1 ↓

Analogs

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Popular Name: 1-(1-methylpyrazol-4-yl)-6,7-dihydro-5H-indol-4-one 1-(1-methylpyrazol-4-yl)-6,7-dih…

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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) 1.27 6.64 -12.46 0 4 0 40 215.256 1 ↓

Analogs

4228183
4228183

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Popular Name: 2,6,6-trimethyl-1-(1-methylpyrazol-4-yl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(1-methylpyraz…

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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) 2.38 8.11 -11.58 0 4 0 40 257.337 1 ↓

Analogs

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

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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) 2.15 7.55 -11.93 0 4 0 40 243.31 1 ↓

Analogs

3885105
3885105

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Popular Name: 2-methyl-1-(1H-pyrazol-4-yl)-6,7-dihydro-5H-indol-4-one 2-methyl-1-(1H-pyrazol-4-yl)-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) 1.42 5.91 -12 1 4 0 51 215.256 1 ↓

Analogs

1719362
1719362
1719179
1719179

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Popular Name: 1-(1H-pyrazol-4-yl)-6,7-dihydro-5H-indol-4-one 1-(1H-pyrazol-4-yl)-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) 1.20 5.32 -12.26 1 4 0 51 201.229 1 ↓

Analogs

4228183
4228183
16739555
16739555

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Popular Name: 2,6,6-trimethyl-1-(1H-pyrazol-4-yl)-5,7-dihydroindol-4-one 2,6,6-trimethyl-1-(1H-pyrazol-4-…

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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) 2.31 6.82 -11.49 1 4 0 51 243.31 1 ↓

Analogs

4728914
4728914
1719180
1719180
4228183
4228183

Draw Identity 99% 90% 80% 70%

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

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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) 2.09 6.23 -11.73 1 4 0 51 229.283 1 ↓

Analogs

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Popular Name: 1-(1-ethylpyrazol-4-yl)-2-methyl-6,7-dihydro-5H-indol-4-one 1-(1-ethylpyrazol-4-yl)-2-methyl…

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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 8.1 -12.01 0 4 0 40 243.31 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-ethylpyrazol-4-yl)-6,7-dihydro-5H-indol-4-one 1-(1-ethylpyrazol-4-yl)-6,7-dihy…

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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) 1.64 7.49 -12.2 0 4 0 40 229.283 2 ↓

Analogs

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Popular Name: 1-(1-ethylpyrazol-4-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-(1-ethylpyrazol-4-yl)-2,6,6-tr…

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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 9.02 -11.44 0 4 0 40 271.364 2 ↓

Analogs

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

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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) 2.53 8.42 -11.61 0 4 0 40 257.337 2 ↓

Analogs

3885105
3885105

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Popular Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-6,7-dihydro-5H-indol-4-one 1-(3,5-dimethyl-1H-pyrazol-4-yl)…

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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 7.14 -11.07 1 4 0 51 243.31 1 ↓

Analogs

1719362
1719362

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-6,7-dihydro-5H-indol-4-one 1-(3,5-dimethyl-1H-pyrazol-4-yl)…

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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) 1.64 6.66 -10.72 1 4 0 51 229.283 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-(3,5-dimethyl-1H-pyrazol-4-yl)…

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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 8.05 -10.51 1 4 0 51 271.364 1 ↓

Analogs

4728914
4728914
4228183
4228183

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-6,6-dimethyl-5,7-dihydroindol-4-one 1-(3,5-dimethyl-1H-pyrazol-4-yl)…

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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) 2.53 7.59 -10.09 1 4 0 51 257.337 1 ↓

Parameters Provided:

ring.id = 571441
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 = 571441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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