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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

41585714
41585714

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Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-4-methyl-7-[(4-phenylpiperazin-1-yl)methyl]benzofur (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 4.79 11.12 -52.77 2 7 1 77 471.533 4 ↓
Mid Mid (pH 6-8) 4.79 8.86 -10.81 1 7 0 75 470.525 4 ↓
Mid Mid (pH 6-8) 4.79 9.46 -42.25 0 7 -1 78 469.517 4 ↓

Analogs

41585761
41585761

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Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-7-[(4-phenylpiperazin-1-yl)methyl]benzofuran-3-one (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 4.41 7.96 -10.66 1 7 0 75 456.498 4 ↓
Mid Mid (pH 6-8) 4.41 8.73 -41.38 0 7 -1 78 455.49 4 ↓
Mid Mid (pH 6-8) 4.41 10.19 -52.51 2 7 1 77 457.506 4 ↓

Analogs

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Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-meth (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 5.44 9.37 -10.97 1 7 0 75 504.97 4 ↓
Mid Mid (pH 6-8) 5.44 12.19 -33.56 1 7 0 79 504.97 4 ↓
Mid Mid (pH 6-8) 5.44 11.63 -54.94 2 7 1 77 505.978 4 ↓

Analogs

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Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-hydroxy-benzof (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 5.06 8.47 -10.53 1 7 0 75 490.943 4 ↓
Mid Mid (pH 6-8) 5.06 9.24 -40.51 0 7 -1 78 489.935 4 ↓
Mid Mid (pH 6-8) 5.06 10.7 -54.27 2 7 1 77 491.951 4 ↓

Analogs

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Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-meth (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 4.90 11.64 -47.59 2 7 1 77 489.523 4 ↓
Mid Mid (pH 6-8) 4.90 12.2 -32.88 1 7 0 79 488.515 4 ↓
Mid Mid (pH 6-8) 4.90 9.4 -10.73 1 7 0 75 488.515 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-benzof (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 4.53 8.47 -11.58 1 7 0 75 474.488 4 ↓
Mid Mid (pH 6-8) 4.53 9.23 -44.13 0 7 -1 78 473.48 4 ↓
Mid Mid (pH 6-8) 4.53 10.68 -47.67 2 7 1 77 475.496 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-meth (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 4.95 11.19 -57.49 2 7 1 77 489.523 4 ↓
Mid Mid (pH 6-8) 4.95 11.75 -36.23 1 7 0 79 488.515 4 ↓
Mid Mid (pH 6-8) 4.95 8.93 -11.9 1 7 0 75 488.515 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-benzof (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 4.57 8.03 -11.51 1 7 0 75 474.488 4 ↓
Mid Mid (pH 6-8) 4.57 8.8 -40.45 0 7 -1 78 473.48 4 ↓
Mid Mid (pH 6-8) 4.57 10.25 -57.09 2 7 1 77 475.496 4 ↓

Analogs

41585114
41585114

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Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-met (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 4.84 10.4 -55.41 2 8 1 86 501.559 5 ↓
Hi High (pH 8-9.5) 4.84 8.74 -43.18 0 8 -1 87 499.543 5 ↓
Mid Mid (pH 6-8) 4.84 10.96 -35.89 1 8 0 89 500.551 5 ↓

Analogs

41585168
41585168

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Popular Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-7-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzof (2Z)-2-(1,3-benzodioxol-5-ylmeth…

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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) 4.47 7.52 -12.53 1 8 0 85 486.524 5 ↓
Mid Mid (pH 6-8) 4.47 10.34 -35.16 1 8 0 89 486.524 5 ↓
Mid Mid (pH 6-8) 4.47 9.76 -54.92 2 8 1 86 487.532 5 ↓

Parameters Provided:

ring.id = 550059
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 = 550059 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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