UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4318197
4318197
2860421
2860421

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Popular Name: 5,7-dimethyl-1-phenethyl-indoline-2,3-dione 5,7-dimethyl-1-phenethyl-indolin…

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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) 3.50 9.64 -10.42 0 3 0 39 279.339 3 ↓

Analogs

4318197
4318197
4866971
4866971

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Popular Name: 6,7-dimethyl-1-phenethyl-indoline-2,3-dione 6,7-dimethyl-1-phenethyl-indolin…

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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) 3.50 9.53 -10.71 0 3 0 39 279.339 3 ↓

Analogs

1631972
1631972
2700387
2700387

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Popular Name: 6-methoxy-1-phenethyl-indoline-2,3-dione 6-methoxy-1-phenethyl-indoline-2…

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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) 2.74 8.02 -10.04 0 4 0 48 281.311 4 ↓

Analogs

42375516
42375516
2898342
2898342

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Popular Name: 6-chloro-1-phenethyl-indoline-2,3-dione 6-chloro-1-phenethyl-indoline-2,…

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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) 3.36 9.21 -8.42 0 3 0 39 285.73 3 ↓

Analogs

3223834
3223834

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Popular Name: 7-bromo-5-fluoro-1-phenethyl-indoline-2,3-dione 7-bromo-5-fluoro-1-phenethyl-ind…

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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 9.01 -6.35 0 3 0 39 348.171 3 ↓

Analogs

42375522
42375522

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Popular Name: 7-bromo-1-phenethyl-indoline-2,3-dione 7-bromo-1-phenethyl-indoline-2,3…

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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) 3.46 8.94 -8.92 0 3 0 39 330.181 3 ↓

Analogs

22130260
22130260

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Popular Name: 4,6-dimethyl-1-phenethyl-indoline-2,3-dione 4,6-dimethyl-1-phenethyl-indolin…

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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) 3.50 10.01 -10.51 0 3 0 39 279.339 3 ↓

Analogs

4832585
4832585
2480511
2480511

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Popular Name: 5-methoxy-1-phenethyl-indoline-2,3-dione 5-methoxy-1-phenethyl-indoline-2…

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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) 2.74 8 -12 0 4 0 48 281.311 4 ↓

Analogs

22130260
22130260
5425906
5425906
22130254
22130254

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Popular Name: 4,7-dimethyl-1-phenethyl-indoline-2,3-dione 4,7-dimethyl-1-phenethyl-indolin…

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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) 3.50 9.64 -10.93 0 3 0 39 279.339 3 ↓

Analogs

40487572
40487572
2488440
2488440

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Popular Name: 7-chloro-1-phenethyl-indoline-2,3-dione 7-chloro-1-phenethyl-indoline-2,…

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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) 3.33 8.96 -8.99 0 3 0 39 285.73 3 ↓

Analogs

42375614
42375614
5423920
5423920

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Popular Name: 5,7-difluoro-1-phenethyl-indoline-2,3-dione 5,7-difluoro-1-phenethyl-indolin…

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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 8.75 -6.8 0 3 0 39 287.265 3 ↓

Analogs

5423920
5423920
19615808
19615808
8226970
8226970

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Popular Name: 7-fluoro-5-methyl-1-phenethyl-indoline-2,3-dione 7-fluoro-5-methyl-1-phenethyl-in…

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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) 3.22 9.34 -8.34 0 3 0 39 283.302 3 ↓

Analogs

5234863
5234863
6809362
6809362
2553889
2553889

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Popular Name: 5-bromo-7-methyl-1-phenethyl-indoline-2,3-dione 5-bromo-7-methyl-1-phenethyl-ind…

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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 9.57 -9.13 0 3 0 39 344.208 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-7-fluoro-1-phenethyl-indoline-2,3-dione 4-chloro-7-fluoro-1-phenethyl-in…

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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) 3.45 9.18 -9.29 0 3 0 39 303.72 3 ↓

Analogs

42375641
42375641

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Popular Name: 4,6-difluoro-1-phenethyl-indoline-2,3-dione 4,6-difluoro-1-phenethyl-indolin…

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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) 2.93 8.84 -9.95 0 3 0 39 287.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-fluoro-1-phenethyl-indoline-2,3-dione 5-bromo-6-fluoro-1-phenethyl-ind…

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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) 3.58 9.36 -7.93 0 3 0 39 348.171 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-phenethyl-indoline-2,3-dione 4-chloro-1-phenethyl-indoline-2,…

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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) 3.33 9.21 -13.15 0 3 0 39 285.73 3 ↓

Parameters Provided:

ring.id = 610824
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 = 610824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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