UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6760313
6760313

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Popular Name: 5,7-dimethyl-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 5,7-dimethyl-1-(2-pyrrolidin-1-y…

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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) 2.13 8.36 -44.88 1 4 1 44 273.356 3 ↓

Analogs

6760313
6760313
6760726
6760726
9306234
9306234
6758513
6758513

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Popular Name: 6,7-dimethyl-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 6,7-dimethyl-1-(2-pyrrolidin-1-y…

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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) 2.13 8.14 -45.31 1 4 1 44 273.356 3 ↓

Analogs

6759077
6759077
6764532
6764532
9126423
9126423
6760240
6760240

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Popular Name: 6-methoxy-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 6-methoxy-1-(2-pyrrolidin-1-ylet…

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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) 1.36 6.7 -43.48 1 5 1 53 275.328 4 ↓

Analogs

26779522
26779522
6760240
6760240

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Popular Name: 6-chloro-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 6-chloro-1-(2-pyrrolidin-1-yleth…

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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) 1.99 7.91 -43.53 1 4 1 44 279.747 3 ↓

Analogs

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Popular Name: 7-bromo-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 7-bromo-5-fluoro-1-(2-pyrrolidin…

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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) 1.23 7.57 -38.29 1 4 1 44 342.188 3 ↓

Analogs

14112543
14112543
6760406
6760406
3149430
3149430

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Popular Name: 7-bromo-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 7-bromo-1-(2-pyrrolidin-1-ylethy…

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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 7.51 -37.21 1 4 1 44 324.198 3 ↓

Analogs

6760240
6760240

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Popular Name: 4,6-dimethyl-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 4,6-dimethyl-1-(2-pyrrolidin-1-y…

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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) 2.13 8.69 -45.37 1 4 1 44 273.356 3 ↓

Analogs

6760726
6760726
6760313
6760313

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Popular Name: 4,7-dimethyl-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 4,7-dimethyl-1-(2-pyrrolidin-1-y…

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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) 2.13 8.35 -44.75 1 4 1 44 273.356 3 ↓

Analogs

6759534
6759534
6760687
6760687

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Popular Name: 7-chloro-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 7-chloro-1-(2-pyrrolidin-1-yleth…

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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) 1.96 7.53 -37.6 1 4 1 44 279.747 3 ↓

Analogs

6759144
6759144
6760016
6760016

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Popular Name: 5,7-difluoro-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 5,7-difluoro-1-(2-pyrrolidin-1-y…

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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) 0.59 7.44 -39.44 1 4 1 44 281.282 3 ↓

Analogs

6759144
6759144
6760016
6760016
2502891
2502891

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Popular Name: 7-fluoro-5-methyl-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 7-fluoro-5-methyl-1-(2-pyrrolidi…

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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) 1.85 8.04 -37.82 1 4 1 44 277.319 3 ↓

Analogs

6760406
6760406
19966829
19966829
6759317
6759317

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Popular Name: 5-bromo-7-methyl-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 5-bromo-7-methyl-1-(2-pyrrolidin…

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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) 2.49 8.16 -46.21 1 4 1 44 338.225 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-7-fluoro-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 4-chloro-7-fluoro-1-(2-pyrrolidi…

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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 7.87 -41.23 1 4 1 44 297.737 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-difluoro-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 4,6-difluoro-1-(2-pyrrolidin-1-y…

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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) 1.56 7.52 -49.16 1 4 1 44 281.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-fluoro-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 5-bromo-6-fluoro-1-(2-pyrrolidin…

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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) 2.21 8.04 -46.92 1 4 1 44 342.188 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-(2-pyrrolidin-1-ylethyl)indoline-2,3-dione 4-chloro-1-(2-pyrrolidin-1-yleth…

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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) 1.96 7.89 -50.87 1 4 1 44 279.747 3 ↓

Parameters Provided:

ring.id = 610830
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 = 610830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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