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

Analogs

41512870
41512870

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Popular Name: (2Z)-6-hydroxy-4-methyl-2-[(4-phenylphenyl)methylene]-7-(1-piperidylmethyl)benzofuran-3-one (2Z)-6-hydroxy-4-methyl-2-[(4-ph…

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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) 6.01 13.82 -43.95 2 4 1 55 426.536 4 ↓
Mid Mid (pH 6-8) 6.01 14.39 -29.59 1 4 0 58 425.528 4 ↓

Analogs

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Popular Name: (2Z)-6-hydroxy-2-[(4-phenylphenyl)methylene]-7-(1-piperidylmethyl)benzofuran-3-one (2Z)-6-hydroxy-2-[(4-phenylpheny…

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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) 5.63 13.17 -44.07 2 4 1 55 412.509 4 ↓
Mid Mid (pH 6-8) 5.63 13.74 -29.52 1 4 0 58 411.501 4 ↓

Analogs

41511500
41511500

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Popular Name: (2Z)-6-hydroxy-4-methyl-7-[[(2S)-2-methyl-1-piperidyl]methyl]-2-[(4-phenylphenyl)methylene]benzofura (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) 6.34 13.95 -41.48 2 4 1 55 440.563 4 ↓
Mid Mid (pH 6-8) 6.34 14.72 -28.44 1 4 0 58 439.555 4 ↓

Analogs

41511496
41511496

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Popular Name: (2Z)-6-hydroxy-4-methyl-7-[[(2R)-2-methyl-1-piperidyl]methyl]-2-[(4-phenylphenyl)methylene]benzofura (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) 6.34 14.3 -41.48 2 4 1 55 440.563 4 ↓
Mid Mid (pH 6-8) 6.34 14.88 -27.3 1 4 0 58 439.555 4 ↓

Analogs

41512290
41512290
41583678
41583678
41583679
41583679
41583680
41583680

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Popular Name: (2E)-6-hydroxy-4-methyl-7-[[(3S)-3-methyl-1-piperidyl]methyl]-2-[(4-phenylphenyl)methylene]benzofura (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) 6.25 14.26 -41.92 2 4 1 55 440.563 4 ↓
Mid Mid (pH 6-8) 6.25 14.84 -28.72 1 4 0 58 439.555 4 ↓

Analogs

41583678
41583678
41583679
41583679
41583680
41583680
41512286
41512286

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Popular Name: (2E)-6-hydroxy-4-methyl-7-[[(3R)-3-methyl-1-piperidyl]methyl]-2-[(4-phenylphenyl)methylene]benzofura (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) 6.25 13.95 -42.68 2 4 1 55 440.563 4 ↓
Mid Mid (pH 6-8) 6.25 14.72 -29.74 1 4 0 58 439.555 4 ↓

Analogs

41512511
41512511
41583798
41583798
41583799
41583799
41583800
41583800

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Popular Name: (2E)-6-hydroxy-7-[[(3R)-3-methyl-1-piperidyl]methyl]-2-[(4-phenylphenyl)methylene]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) 5.87 13.62 -41.97 2 4 1 55 426.536 4 ↓
Mid Mid (pH 6-8) 5.87 14.19 -28.56 1 4 0 58 425.528 4 ↓

Analogs

41583798
41583798
41583799
41583799
41583800
41583800
41512507
41512507

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Popular Name: (2E)-6-hydroxy-7-[[(3S)-3-methyl-1-piperidyl]methyl]-2-[(4-phenylphenyl)methylene]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) 5.87 13.31 -42.72 2 4 1 55 426.536 4 ↓
Mid Mid (pH 6-8) 5.87 14.07 -29.37 1 4 0 58 425.528 4 ↓

Analogs

41510971
41510971

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Popular Name: (2Z)-6-hydroxy-4-methyl-7-[(4-methyl-1-piperidyl)methyl]-2-[(4-phenylphenyl)methylene]benzofuran-3-o (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) 6.25 14.44 -45.05 2 4 1 55 440.563 4 ↓
Mid Mid (pH 6-8) 6.25 15.01 -29.59 1 4 0 58 439.555 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-hydroxy-7-[(4-methyl-1-piperidyl)methyl]-2-[(4-phenylphenyl)methylene]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) 5.87 13.78 -45.14 2 4 1 55 426.536 4 ↓
Mid Mid (pH 6-8) 5.87 14.36 -29.59 1 4 0 58 425.528 4 ↓

Analogs

41583679
41583679
41583680
41583680
41512286
41512286
41512290
41512290

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Popular Name: (2E)-7-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-[(4-phenylphenyl)methylene]be (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) 6.73 14.85 -41.91 2 4 1 55 454.59 4 ↓
Mid Mid (pH 6-8) 6.73 15.42 -28.98 1 4 0 58 453.582 4 ↓

Analogs

41583680
41583680
41583678
41583678
41512286
41512286
41512290
41512290

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Popular Name: (2E)-7-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-[(4-phenylphenyl)methylene]be (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) 6.73 14.85 -41.59 2 4 1 55 454.59 4 ↓
Mid Mid (pH 6-8) 6.73 15.43 -28.26 1 4 0 58 453.582 4 ↓

Analogs

41583678
41583678
41583679
41583679
41512286
41512286
41512290
41512290

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-4-methyl-2-[(4-phenylphenyl)methylene]be (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) 6.73 14.85 -41.48 2 4 1 55 454.59 4 ↓
Mid Mid (pH 6-8) 6.73 15.42 -28.76 1 4 0 58 453.582 4 ↓

Analogs

41583799
41583799
41583800
41583800
41512507
41512507
41512511
41512511

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3S,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-2-[(4-phenylphenyl)methylene]benzofuran- (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) 6.35 13.9 -43.08 2 4 1 55 440.563 4 ↓
Mid Mid (pH 6-8) 6.35 14.67 -29.25 1 4 0 58 439.555 4 ↓

Analogs

41583800
41583800
41583798
41583798
41512507
41512507
41512511
41512511

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-2-[(4-phenylphenyl)methylene]benzofuran- (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) 6.35 13.91 -42.27 2 4 1 55 440.563 4 ↓
Mid Mid (pH 6-8) 6.35 14.67 -29.45 1 4 0 58 439.555 4 ↓

Analogs

41583798
41583798
41583799
41583799
41512507
41512507
41512511
41512511

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-7-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]-6-hydroxy-2-[(4-phenylphenyl)methylene]benzofuran- (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) 6.35 13.91 -42.28 2 4 1 55 440.563 4 ↓
Mid Mid (pH 6-8) 6.35 14.67 -29.89 1 4 0 58 439.555 4 ↓

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) 6.11 14.91 -52.11 2 6 1 81 498.599 7 ↓
Hi High (pH 8-9.5) 6.11 12.66 -12.58 1 6 0 80 497.591 7 ↓
Mid Mid (pH 6-8) 6.11 15.68 -37.36 1 6 0 84 497.591 7 ↓

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) 5.74 14.58 -52.48 2 6 1 81 484.572 7 ↓
Hi High (pH 8-9.5) 5.74 12.3 -13.65 1 6 0 80 483.564 7 ↓
Mid Mid (pH 6-8) 5.74 15.16 -35.64 1 6 0 84 483.564 7 ↓

Analogs

41586412
41586412

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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) 6.11 15.34 -47.88 2 6 1 81 498.599 7 ↓
Hi High (pH 8-9.5) 6.11 13.66 -45.03 0 6 -1 83 496.583 7 ↓
Mid Mid (pH 6-8) 6.11 13.09 -11.85 1 6 0 80 497.591 7 ↓

Analogs

41586411
41586411

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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) 6.11 15.03 -47.75 2 6 1 81 498.599 7 ↓
Hi High (pH 8-9.5) 6.11 13.57 -46.9 0 6 -1 83 496.583 7 ↓
Mid Mid (pH 6-8) 6.11 15.8 -30.47 1 6 0 84 497.591 7 ↓

Analogs

41586520
41586520

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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) 5.74 14.69 -48.24 2 6 1 81 484.572 7 ↓
Hi High (pH 8-9.5) 5.74 13.01 -44.09 0 6 -1 83 482.556 7 ↓
Mid Mid (pH 6-8) 5.74 15.26 -30.15 1 6 0 84 483.564 7 ↓

Analogs

41586519
41586519

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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) 5.74 14.38 -48.11 2 6 1 81 484.572 7 ↓
Hi High (pH 8-9.5) 5.74 12.91 -45.85 0 6 -1 83 482.556 7 ↓
Mid Mid (pH 6-8) 5.74 12.14 -11.45 1 6 0 80 483.564 7 ↓

Parameters Provided:

ring.id = 537550
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 = 537550 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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