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

Analogs

41512906
41512906

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-4-methyl-7-(1-piperidylmethyl)-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-6-hydroxy-4-methyl-7-(1-pip…

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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) 3.04 8.69 -39.22 2 5 1 68 351.426 3 ↓
Mid Mid (pH 6-8) 3.04 9.47 -28.21 1 5 0 71 350.418 3 ↓

Analogs

41512976
41512976

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Popular Name: (2Z)-6-hydroxy-7-(1-piperidylmethyl)-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-6-hydroxy-7-(1-piperidylmet…

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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) 2.67 8.05 -39.53 2 5 1 68 337.399 3 ↓
Mid Mid (pH 6-8) 2.67 8.82 -28.36 1 5 0 71 336.391 3 ↓

Analogs

41511572
41511572

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Popular Name: (2Z)-6-hydroxy-4-methyl-7-[[(2S)-2-methyl-1-piperidyl]methyl]-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-6-hydroxy-4-methyl-7-[[(2S)…

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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) 3.38 9.18 -36.61 2 5 1 68 365.453 3 ↓
Mid Mid (pH 6-8) 3.38 9.95 -27.22 1 5 0 71 364.445 3 ↓

Analogs

41511568
41511568

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Popular Name: (2Z)-6-hydroxy-4-methyl-7-[[(2R)-2-methyl-1-piperidyl]methyl]-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-6-hydroxy-4-methyl-7-[[(2R)…

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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) 3.38 9.48 -36.71 2 5 1 68 365.453 3 ↓
Mid Mid (pH 6-8) 3.38 10.06 -26.28 1 5 0 71 364.445 3 ↓

Analogs

41511713
41511713

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Popular Name: (2Z)-6-hydroxy-7-[[(2R)-2-methyl-1-piperidyl]methyl]-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-6-hydroxy-7-[[(2R)-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) 3.00 8.53 -36.86 2 5 1 68 351.426 3 ↓
Mid Mid (pH 6-8) 3.00 9.31 -27.36 1 5 0 71 350.418 3 ↓

Analogs

41511709
41511709

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Popular Name: (2Z)-6-hydroxy-7-[[(2S)-2-methyl-1-piperidyl]methyl]-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-6-hydroxy-7-[[(2S)-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) 3.00 8.84 -36.97 2 5 1 68 351.426 3 ↓
Mid Mid (pH 6-8) 3.00 9.42 -26.32 1 5 0 71 350.418 3 ↓

Analogs

41512362
41512362
41583705
41583705
41583706
41583706
41583707
41583707

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Popular Name: (2E)-6-hydroxy-4-methyl-7-[[(3S)-3-methyl-1-piperidyl]methyl]-2-(2-pyridylmethylene)benzofuran-3-one (2E)-6-hydroxy-4-methyl-7-[[(3S)…

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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) 3.29 10.19 -41.25 2 5 1 68 365.453 3 ↓
Mid Mid (pH 6-8) 3.29 10.77 -29.95 1 5 0 71 364.445 3 ↓

Analogs

41583705
41583705
41583706
41583706
41583707
41583707
41512358
41512358

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Popular Name: (2E)-6-hydroxy-4-methyl-7-[[(3R)-3-methyl-1-piperidyl]methyl]-2-(2-pyridylmethylene)benzofuran-3-one (2E)-6-hydroxy-4-methyl-7-[[(3R)…

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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) 3.29 9.89 -41.93 2 5 1 68 365.453 3 ↓
Mid Mid (pH 6-8) 3.29 10.66 -30.79 1 5 0 71 364.445 3 ↓

Analogs

41512521
41512521
41583801
41583801
41583802
41583802
41583803
41583803

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Popular Name: (2E)-6-hydroxy-7-[[(3R)-3-methyl-1-piperidyl]methyl]-2-(2-pyridylmethylene)benzofuran-3-one (2E)-6-hydroxy-7-[[(3R)-3-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) 2.91 9.56 -41.75 2 5 1 68 351.426 3 ↓
Mid Mid (pH 6-8) 2.91 10.15 -30.45 1 5 0 71 350.418 3 ↓

Analogs

41583801
41583801
41583802
41583802
41583803
41583803
41512515
41512515

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-6-hydroxy-7-[[(3S)-3-methyl-1-piperidyl]methyl]-2-(2-pyridylmethylene)benzofuran-3-one (2E)-6-hydroxy-7-[[(3S)-3-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) 2.91 9.26 -42.48 2 5 1 68 351.426 3 ↓
Mid Mid (pH 6-8) 2.91 10.02 -31.39 1 5 0 71 350.418 3 ↓

Analogs

41511004
41511004

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Popular Name: (2Z)-6-hydroxy-4-methyl-7-[(4-methyl-1-piperidyl)methyl]-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-6-hydroxy-4-methyl-7-[(4-me…

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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) 3.29 9.62 -39.54 2 5 1 68 365.453 3 ↓
Mid Mid (pH 6-8) 3.29 10.2 -27.78 1 5 0 71 364.445 3 ↓

Analogs

41511069
41511069

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Popular Name: (2Z)-6-hydroxy-7-[(4-methyl-1-piperidyl)methyl]-2-(2-pyridylmethylene)benzofuran-3-one (2Z)-6-hydroxy-7-[(4-methyl-1-pi…

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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) 2.91 8.98 -39.81 2 5 1 68 351.426 3 ↓
Mid Mid (pH 6-8) 2.91 9.55 -28 1 5 0 71 350.418 3 ↓

Analogs

41583706
41583706
41583707
41583707
41512358
41512358
41512362
41512362

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Popular Name: (2E)-7-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-(2-pyridylmethylene)benzofura (2E)-7-[[(3S,5R)-3,5-dimethyl-1-…

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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) 3.76 10.78 -41.26 2 5 1 68 379.48 3 ↓
Mid Mid (pH 6-8) 3.76 11.35 -30.19 1 5 0 71 378.472 3 ↓

Analogs

41583707
41583707
41583705
41583705
41512358
41512358
41512362
41512362

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-(2-pyridylmethylene)benzofura (2E)-7-[[(3S,5S)-3,5-dimethyl-1-…

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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) 3.76 10.79 -41.01 2 5 1 68 379.48 3 ↓
Mid Mid (pH 6-8) 3.76 11.37 -29.49 1 5 0 71 378.472 3 ↓

Analogs

41583705
41583705
41512358
41512358
41512362
41512362
41583706
41583706

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-(2-pyridylmethylene)benzofura (2E)-7-[[(3R,5R)-3,5-dimethyl-1-…

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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) 3.76 10.79 -40.94 2 5 1 68 379.48 3 ↓
Mid Mid (pH 6-8) 3.76 11.36 -30.05 1 5 0 71 378.472 3 ↓

Analogs

41583802
41583802
41583803
41583803
41512515
41512515
41512521
41512521

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-2-(2-pyridylmethylene)benzofuran-3-one (2E)-7-[[(3S,5R)-3,5-dimethyl-1-…

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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) 3.38 9.85 -42.81 2 5 1 68 365.453 3 ↓
Mid Mid (pH 6-8) 3.38 10.62 -31.2 1 5 0 71 364.445 3 ↓

Analogs

41583803
41583803
41583801
41583801
41512515
41512515
41512521
41512521

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-2-(2-pyridylmethylene)benzofuran-3-one (2E)-7-[[(3S,5S)-3,5-dimethyl-1-…

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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) 3.38 9.85 -41.96 2 5 1 68 365.453 3 ↓
Mid Mid (pH 6-8) 3.38 10.63 -31.45 1 5 0 71 364.445 3 ↓

Analogs

41583801
41583801
41583802
41583802
41512515
41512515
41512521
41512521

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-2-(2-pyridylmethylene)benzofuran-3-one (2E)-7-[[(3R,5R)-3,5-dimethyl-1-…

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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) 3.38 9.85 -42.07 2 5 1 68 365.453 3 ↓
Mid Mid (pH 6-8) 3.38 10.63 -31.93 1 5 0 71 364.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 3.15 10.86 -51.8 2 7 1 94 423.489 6 ↓
Hi High (pH 8-9.5) 3.15 8.61 -13.85 1 7 0 93 422.481 6 ↓
Hi High (pH 8-9.5) 3.15 9.38 -50.6 0 7 -1 96 421.473 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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) 2.77 10.53 -52.17 2 7 1 94 409.462 6 ↓
Hi High (pH 8-9.5) 2.77 8.83 -47.93 0 7 -1 96 407.446 6 ↓
Mid Mid (pH 6-8) 2.77 8.24 -15.07 1 7 0 93 408.454 6 ↓

Analogs

41586428
41586428

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Popular Name: ethyl ethyl

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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) 3.15 10.51 -42.95 2 7 1 94 423.489 6 ↓
Hi High (pH 8-9.5) 3.15 8.85 -47.67 0 7 -1 96 421.473 6 ↓
Mid Mid (pH 6-8) 3.15 11.1 -28.67 1 7 0 97 422.481 6 ↓

Analogs

41586427
41586427

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Popular Name: ethyl ethyl

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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) 3.15 10.2 -43.45 2 7 1 94 423.489 6 ↓
Hi High (pH 8-9.5) 3.15 8.75 -49.06 0 7 -1 96 421.473 6 ↓
Mid Mid (pH 6-8) 3.15 7.98 -12.36 1 7 0 93 422.481 6 ↓

Analogs

41586536
41586536

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Popular Name: ethyl ethyl

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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) 2.77 9.88 -43.28 2 7 1 94 409.462 6 ↓
Hi High (pH 8-9.5) 2.77 8.2 -46.65 0 7 -1 96 407.446 6 ↓
Mid Mid (pH 6-8) 2.77 10.46 -28.84 1 7 0 97 408.454 6 ↓

Analogs

41586535
41586535

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Popular Name: ethyl ethyl

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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) 2.77 9.57 -43.79 2 7 1 94 409.462 6 ↓
Hi High (pH 8-9.5) 2.77 8.11 -48.04 0 7 -1 96 407.446 6 ↓
Mid Mid (pH 6-8) 2.77 10.34 -29.81 1 7 0 97 408.454 6 ↓

Parameters Provided:

ring.id = 537568
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 = 537568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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