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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6661315
6661315
6672776
6672776
6661527
6661527
6670219
6670219

Draw Identity 99% 90% 80% 70%

Popular Name: 6,7-dimethyl-1-(4-pyridylmethyl)indoline-2,3-dione 6,7-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) 2.01 6.93 -12.59 0 4 0 52 266.3 2 ↓
Lo Low (pH 4.5-6) 2.01 7.38 -41.39 1 4 1 53 267.308 2 ↓

Analogs

45349143
45349143
45349602
45349602
6673696
6673696
6719040
6719040
6670219
6670219

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methoxy-1-(4-pyridylmethyl)indoline-2,3-dione 6-methoxy-1-(4-pyridylmethyl)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) 1.24 5.44 -12.02 0 5 0 61 268.272 3 ↓
Lo Low (pH 4.5-6) 1.24 5.9 -41.76 1 5 1 62 269.28 3 ↓

Analogs

6670219
6670219
6673216
6673216
6719140
6719140

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-1-(4-pyridylmethyl)indoline-2,3-dione 6-chloro-1-(4-pyridylmethyl)indo…

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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 6.64 -10.58 0 4 0 52 272.691 2 ↓
Lo Low (pH 4.5-6) 1.86 7.1 -41.4 1 4 1 53 273.699 2 ↓

Analogs

6719042
6719042
14201148
14201148
35185384
35185384

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-5-fluoro-1-(4-pyridylmethyl)indoline-2,3-dione 7-bromo-5-fluoro-1-(4-pyridylmet…

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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) 1.11 6.37 -7.72 0 4 0 52 335.132 2 ↓
Lo Low (pH 4.5-6) 1.11 6.82 -37.08 1 4 1 53 336.14 2 ↓

Analogs

6719042
6719042
14201148
14201148

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1-(4-pyridylmethyl)indoline-2,3-dione 7-bromo-1-(4-pyridylmethyl)indol…

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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) 1.97 6.3 -10.12 0 4 0 52 317.142 2 ↓
Lo Low (pH 4.5-6) 1.97 6.76 -37.13 1 4 1 53 318.15 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-(4-pyridylmethyl)indoline-2,3-dione 4,6-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) 2.01 7.43 -12.91 0 4 0 52 266.3 2 ↓
Lo Low (pH 4.5-6) 2.01 7.89 -43.8 1 4 1 53 267.308 2 ↓

Analogs

6661527
6661527
6661315
6661315
6672776
6672776

Draw Identity 99% 90% 80% 70%

Popular Name: 4,7-dimethyl-1-(4-pyridylmethyl)indoline-2,3-dione 4,7-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) 2.01 7.01 -12.94 0 4 0 52 266.3 2 ↓
Lo Low (pH 4.5-6) 2.01 7.47 -41.78 1 4 1 53 267.308 2 ↓

Analogs

6719140
6719140
11692659
11692659
40953530
40953530

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-(4-pyridylmethyl)indoline-2,3-dione 7-chloro-1-(4-pyridylmethyl)indo…

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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) 1.83 6.27 -10.19 0 4 0 52 272.691 2 ↓
Lo Low (pH 4.5-6) 1.83 6.73 -37.51 1 4 1 53 273.699 2 ↓

Analogs

40430392
40430392
40395565
40395565

Draw Identity 99% 90% 80% 70%

Popular Name: 5,7-difluoro-1-(4-pyridylmethyl)indoline-2,3-dione 5,7-difluoro-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) 0.46 6.06 -8.36 0 4 0 52 274.226 2 ↓
Lo Low (pH 4.5-6) 0.46 6.52 -38.39 1 4 1 53 275.234 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-5-methyl-1-(4-pyridylmethyl)indoline-2,3-dione 7-fluoro-5-methyl-1-(4-pyridylme…

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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) 1.72 6.66 -9.57 0 4 0 52 270.263 2 ↓
Lo Low (pH 4.5-6) 1.72 7.12 -37.68 1 4 1 53 271.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-7-methyl-1-(4-pyridylmethyl)indoline-2,3-dione 5-bromo-7-methyl-1-(4-pyridylmet…

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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) 2.37 6.96 -11.76 0 4 0 52 331.169 2 ↓
Lo Low (pH 4.5-6) 2.37 7.42 -43.21 1 4 1 53 332.177 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-7-fluoro-1-(4-pyridylmethyl)indoline-2,3-dione 4-chloro-7-fluoro-1-(4-pyridylme…

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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) 1.95 6.5 -10.9 0 4 0 52 290.681 2 ↓
Lo Low (pH 4.5-6) 1.95 6.95 -40.52 1 4 1 53 291.689 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-difluoro-1-(4-pyridylmethyl)indoline-2,3-dione 4,6-difluoro-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) 1.44 6.26 -12.75 0 4 0 52 274.226 2 ↓
Lo Low (pH 4.5-6) 1.44 6.72 -45.96 1 4 1 53 275.234 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-fluoro-1-(4-pyridylmethyl)indoline-2,3-dione 5-bromo-6-fluoro-1-(4-pyridylmet…

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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 6.78 -10.55 0 4 0 52 335.132 2 ↓
Lo Low (pH 4.5-6) 2.08 7.24 -43.65 1 4 1 53 336.14 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-1-(4-pyridylmethyl)indoline-2,3-dione 4-chloro-1-(4-pyridylmethyl)indo…

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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) 1.83 6.63 -16.07 0 4 0 52 272.691 2 ↓
Lo Low (pH 4.5-6) 1.83 7.08 -48.63 1 4 1 53 273.699 2 ↓

Parameters Provided:

ring.id = 610911
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 = 610911 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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