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

Analogs

41512007
41512007
41515147
41515147
41515150
41515150
41515153
41515153

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Popular Name: (2E)-6-hydroxy-4-methyl-7-[[(3S)-3-methyl-1-piperidyl]methyl]-2-(3-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) 3.22 9.08 -41.7 2 5 1 68 365.453 3 ↓
Mid Mid (pH 6-8) 3.22 9.66 -27.25 1 5 0 71 364.445 3 ↓

Analogs

41515147
41515147
41515150
41515150
41515153
41515153
41512003
41512003

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-6-hydroxy-4-methyl-7-[[(3R)-3-methyl-1-piperidyl]methyl]-2-(3-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) 3.22 8.77 -42.51 2 5 1 68 365.453 3 ↓
Mid Mid (pH 6-8) 3.22 9.54 -28.3 1 5 0 71 364.445 3 ↓

Analogs

41515150
41515150
41515153
41515153
41512007
41512007
41512003
41512003

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-(3-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) 3.69 9.67 -41.78 2 5 1 68 379.48 3 ↓
Mid Mid (pH 6-8) 3.69 10.24 -27.51 1 5 0 71 378.472 3 ↓

Analogs

41515153
41515153
41512007
41512007
41515147
41515147
41512003
41512003

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-(3-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) 3.69 9.68 -41.43 2 5 1 68 379.48 3 ↓
Mid Mid (pH 6-8) 3.69 10.25 -26.76 1 5 0 71 378.472 3 ↓

Analogs

41512007
41512007
41515147
41515147
41515150
41515150
41512003
41512003

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-(3-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) 3.69 9.68 -41.3 2 5 1 68 379.48 3 ↓
Mid Mid (pH 6-8) 3.69 10.24 -27.36 1 5 0 71 378.472 3 ↓

Analogs

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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) 3.08 10.05 -52.07 2 7 1 94 423.489 6 ↓
Hi High (pH 8-9.5) 3.08 7.77 -12.54 1 7 0 93 422.481 6 ↓
Hi High (pH 8-9.5) 3.08 8.35 -42.82 0 7 -1 96 421.473 6 ↓

Analogs

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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) 2.70 9.1 -52.74 2 7 1 94 409.462 6 ↓
Hi High (pH 8-9.5) 2.70 7.61 -44.24 0 7 -1 96 407.446 6 ↓
Mid Mid (pH 6-8) 2.70 6.85 -11.87 1 7 0 93 408.454 6 ↓

Analogs

41586344
41586344

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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) 3.08 10.16 -49.33 2 7 1 94 423.489 6 ↓
Hi High (pH 8-9.5) 3.08 8.5 -41.87 0 7 -1 96 421.473 6 ↓
Mid Mid (pH 6-8) 3.08 10.74 -30.75 1 7 0 97 422.481 6 ↓

Analogs

41586343
41586343

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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) 3.08 9.81 -49.71 2 7 1 94 423.489 6 ↓
Hi High (pH 8-9.5) 3.08 8.38 -43.77 0 7 -1 96 421.473 6 ↓
Mid Mid (pH 6-8) 3.08 7.62 -10.6 1 7 0 93 422.481 6 ↓

Analogs

41586450
41586450

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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) 2.70 9.51 -49.74 2 7 1 94 409.462 6 ↓
Hi High (pH 8-9.5) 2.70 7.84 -41.08 0 7 -1 96 407.446 6 ↓
Mid Mid (pH 6-8) 2.70 10.09 -31.14 1 7 0 97 408.454 6 ↓

Analogs

41586449
41586449

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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) 2.70 9.16 -50.05 2 7 1 94 409.462 6 ↓
Hi High (pH 8-9.5) 2.70 7.73 -42.95 0 7 -1 96 407.446 6 ↓
Mid Mid (pH 6-8) 2.70 6.95 -10.77 1 7 0 93 408.454 6 ↓

Parameters Provided:

ring.id = 537806
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 = 537806 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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