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

Analogs

14234290
14234290

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Popular Name: 6-bromo-1-[[(3R)-3-(trifluoromethyl)-1-piperidyl]methyl]indoline-2,3-dione 6-bromo-1-[[(3R)-3-(trifluoromet…

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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) 3.40 7.04 -7.67 0 4 0 42 391.187 3 ↓

Analogs

14234286
14234286

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Popular Name: 6-bromo-1-[[(3S)-3-(trifluoromethyl)-1-piperidyl]methyl]indoline-2,3-dione 6-bromo-1-[[(3S)-3-(trifluoromet…

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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) 3.40 6.85 -8.86 0 4 0 42 391.187 3 ↓

Analogs

39380695
39380695
39380697
39380697

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Popular Name: 1-(2-Methyl-piperidin-1-ylmethyl)-1H-indole-2,3-dione 1-(2-Methyl-piperidin-1-ylmethyl…

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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 5.98 -10.18 0 4 0 42 258.321 2 ↓

Analogs

39380695
39380695
39380697
39380697

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-Methyl-piperidin-1-ylmethyl)-1H-indole-2,3-dione 1-(2-Methyl-piperidin-1-ylmethyl…

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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 5.82 -10.79 0 4 0 42 258.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[[(3R)-3-methyl-1-piperidyl]methyl]indoline-2,3-dione 5-bromo-1-[[(3R)-3-methyl-1-pipe…

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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) 2.85 6.47 -9.36 0 4 0 42 337.217 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-1-[[(3S)-3-methyl-1-piperidyl]methyl]indoline-2,3-dione 5-bromo-1-[[(3S)-3-methyl-1-pipe…

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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) 2.85 6.67 -8.84 0 4 0 42 337.217 2 ↓

Analogs

15775644
15775644

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S,6S)-2,6-dimethyl-1-piperidyl]methyl]indoline-2,3-dione 1-[[(2S,6S)-2,6-dimethyl-1-piper…

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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) 2.48 5.99 -10.65 0 4 0 42 272.348 2 ↓

Analogs

15775644
15775644

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R,6R)-2,6-dimethyl-1-piperidyl]methyl]indoline-2,3-dione 1-[[(2R,6R)-2,6-dimethyl-1-piper…

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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) 2.48 6.2 -9.82 0 4 0 42 272.348 2 ↓

Parameters Provided:

ring.id = 188810
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 = 188810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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