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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[[2,4-bis(difluoromethoxy)phenyl]methylene]-4-hydroxy-indan-1-one (2E)-2-[[2,4-bis(difluoromethoxy…

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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) 4.66 5.94 -13.7 1 4 0 56 368.282 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-hydroxy-2-[(7-methoxybenzofuran-2-yl)methylene]indan-1-one (2Z)-4-hydroxy-2-[(7-methoxybenz…

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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) 4.08 7.95 -19.16 1 4 0 60 306.317 2 ↓

Analogs

13904012
13904012

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Popular Name: (5S,6Z)-6-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-5-methyl-3,5-dihydrocyclopenta[f][1,3]benzo (5S,6Z)-6-[(3,5-ditert-butyl-4-h…

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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) 6.31 1.63 -14.81 2 5 0 83 419.521 3 ↓

Analogs

4477829
4477829

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Popular Name: (2E)-2-[(5-bromo-2-thienyl)methylene]indan-1-one (2E)-2-[(5-bromo-2-thienyl)methy…

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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) 4.39 9.34 -7.03 0 1 0 17 305.196 1 ↓

Analogs

33727197
33727197

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Popular Name: 1-Indanone, 2-(3-pyridylmethylene)-; 2-(3-Picolylidene)-1-indanone; 2-(3-Pyridylmethylene)1-indanone; BRN 1529834; LS-81339; NSC 247999 1-Indanone, 2-(3-pyridylmethylen…

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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) 2.33 7.94 -10.18 0 2 0 30 221.259 1 ↓
Lo Low (pH 4.5-6) 2.33 8.22 -36.73 1 2 1 31 222.267 1 ↓

Analogs

11549160
11549160

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Popular Name: (2E)-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylene]-4-hydroxy-indan-1-one (2E)-2-[(6-chloro-3,4-dihydro-2H…

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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) 4.26 7.21 -10.76 1 4 0 56 342.778 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylene)indan-1-one (2E)-2-(2,3-dihydro-1,4-benzodio…

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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) 3.24 8.76 -11.99 0 3 0 36 278.307 1 ↓

Analogs

7742259
7742259

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(Z)-(1-oxoindan-2-ylidene)methyl]thiazol-2-yl]-N-(p-tolyl)acetamide N-[4-[(Z)-(1-oxoindan-2-ylidene)…

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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) 4.46 13.2 -22.6 0 4 0 50 374.465 3 ↓

Analogs

7742259
7742259

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Popular Name: N-[4-[(E)-(1-oxoindan-2-ylidene)methyl]thiazol-2-yl]-N-(p-tolyl)acetamide N-[4-[(E)-(1-oxoindan-2-ylidene)…

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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) 4.46 13.29 -14.4 0 4 0 50 374.465 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-N-[4-[(Z)-(1-oxoindan-2-ylidene)methyl]thiazol-2-yl]acetamide N-(4-chlorophenyl)-N-[4-[(Z)-(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) 4.69 12.5 -15.87 0 4 0 50 394.883 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-N-[4-[(E)-(1-oxoindan-2-ylidene)methyl]thiazol-2-yl]acetamide N-(4-chlorophenyl)-N-[4-[(E)-(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) 4.69 12.02 -11.91 0 4 0 50 394.883 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[[1-(2-chloroethyl)pyrazol-4-yl]methylene]indan-1-one (2E)-2-[[1-(2-chloroethyl)pyrazo…

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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) 2.54 8.76 -11.87 0 3 0 35 272.735 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-bromo-4-fluoro-2-[(1-methylpyrazol-4-yl)methylene]indan-1-one (2Z)-6-bromo-4-fluoro-2-[(1-meth…

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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) 2.82 8.15 -12.19 0 3 0 35 321.149 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-5-methyl-2-[(2-methylpyrazol-3-yl)methylene]indan-1-one (2E)-5-methyl-2-[(2-methylpyrazo…

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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 7.75 -10.5 0 3 0 35 238.29 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(2-chloro-6,7-dimethoxy-3-quinolyl)methylene]-4-methyl-indan-1-one (2E)-2-[(2-chloro-6,7-dimethoxy-…

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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) 4.54 10.2 -13.62 0 4 0 48 379.843 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(2-chloro-8-methyl-3-quinolyl)methylene]-4-methyl-indan-1-one (2E)-2-[(2-chloro-8-methyl-3-qui…

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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) 5.32 11.79 -11.93 0 2 0 30 333.818 1 ↓

Analogs

12954284
12954284

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-2-[(4-methylphenyl)methylene]-3-phenyl-1-indanone 7-fluoro-2-[(4-methylphenyl)meth…

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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) 5.69 3.52 -12.01 0 1 0 17 328.386 2 ↓

Analogs

12954291
12954291

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methylphenyl)methylene]-3-phenyl-1-indanone 2-[(4-methylphenyl)methylene]-3-…

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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) 5.58 2.78 -8.95 0 1 0 17 310.396 2 ↓

Analogs

33704888
33704888
33704889
33704889

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(dimethylamino)methylene]-7-(4-methoxyphenoxy)-3-phenyl-1-indanone 2-[(dimethylamino)methylene]-7-(…

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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) 4.75 3.17 -12.8 0 4 0 38 385.463 5 ↓

Analogs

33704888
33704888
33704889
33704889

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(dimethylamino)methylene]-7-(4-methoxyphenoxy)-3-phenyl-1-indanone 2-[(dimethylamino)methylene]-7-(…

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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) 4.75 3.17 -12.88 0 4 0 38 385.463 5 ↓

Analogs

12861314
12861314

Draw Identity 99% 90% 80% 70%

Popular Name: N-{6-[(Z)-(dimethylamino)methylidene]-7-oxo-5,7-dihydro-6H-indeno[5,6-d][1,3]dioxol-5-yl}-2,2,2-trifluoroacetamide N-{6-[(Z)-(dimethylamino)methyli…

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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) 1.27 0.98 -8.55 1 6 0 67 342.273 3 ↓

Analogs

8782175
8782175

Draw Identity 99% 90% 80% 70%

Popular Name: N-{2-[(E)-(4-chlorophenyl)methylidene]-5,6-dimethoxy-3-oxo-2,3-dihydro-1H-inden-1-yl}-2,2,2-trifluoroacetamide N-{2-[(E)-(4-chlorophenyl)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) 3.85 2.21 -9.84 1 5 0 64 425.79 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{5-[(Z)-(3,5-dimethoxyanilino)methylidene]-6-oxo-4,6-dihydro-5H-cyclopenta[b]thiophen-4-yl}-2,2,2-trifluoroacetamide N-{5-[(Z)-(3,5-dimethoxyanilino)…

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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) 2.78 5.37 -10.78 2 6 0 77 412.389 6 ↓
Ref Reference (pH 7) 2.78 5.35 -9.94 2 6 0 77 412.389 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{5-[(Z)-(3,5-dimethoxyanilino)methylidene]-6-oxo-4,6-dihydro-5H-cyclopenta[b]thiophen-4-yl}-2,2,2-trifluoroacetamide N-{5-[(Z)-(3,5-dimethoxyanilino)…

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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) 2.78 5.56 -10.71 2 6 0 77 412.389 6 ↓
Ref Reference (pH 7) 2.78 5.35 -9.9 2 6 0 77 412.389 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(7-methoxybenzofuran-2-yl)methylene]indan-1-one (2E)-2-[(7-methoxybenzofuran-2-y…

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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) 4.13 9.55 -11.13 0 3 0 39 290.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-4-hydroxy-2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylene]indan-1-one (2E)-4-hydroxy-2-[(2-pyrrolidin-…

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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) 2.75 8.16 -11.87 1 5 0 66 307.353 2 ↓

Analogs

9954491
9954491
11335894
11335894
11336001
11336001

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-4-hydroxy-indan-1-one (2Z)-2-[(3,4-dimethoxyphenyl)met…

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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) 3.33 6.09 -12.94 1 4 0 56 296.322 3 ↓

Analogs

11336004
11336004

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Popular Name: methyl 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) 3.85 7.49 -13.99 1 4 0 64 294.306 3 ↓

Analogs

11335848
11335848

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-4-hydroxy-2-[(4-nitrophenyl)methylene]indan-1-one (2E)-4-hydroxy-2-[(4-nitrophenyl…

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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) 3.64 7.32 -12.27 1 5 0 83 281.267 2 ↓

Analogs

11335973
11335973

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-4-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylene]indan-1-one (2Z)-4-hydroxy-2-[(2,4,5-trimeth…

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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) 3.13 5.45 -13.33 1 5 0 65 326.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(E)-(4-hydroxy-1-oxo-indan-2-ylidene)methyl]benzonitrile 3-[(E)-(4-hydroxy-1-oxo-indan-2-…

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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) 3.41 7.01 -12.86 1 3 0 61 261.28 1 ↓

Analogs

11336322
11336322

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylene]-4-hydroxy-indan-1-one (2Z)-2-[[4-(difluoromethoxy)-3-m…

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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) 3.89 6.36 -15.17 1 4 0 56 332.302 4 ↓

Analogs

11335912
11335912

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(Z)-(4-hydroxy-1-oxo-indan-2-ylidene)methyl]benzoic 4-[(Z)-(4-hydroxy-1-oxo-indan-2-…

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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) 3.59 7.41 -59.85 1 4 -1 77 279.271 2 ↓

Analogs

11335886
11335886

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-4-hydroxy-2-[(2-nitrophenyl)methylene]indan-1-one (2E)-4-hydroxy-2-[(2-nitrophenyl…

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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) 3.41 7.24 -15.55 1 5 0 83 281.267 2 ↓

Analogs

11335844
11335844

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-4-hydroxy-2-[(3-nitrophenyl)methylene]indan-1-one (2E)-4-hydroxy-2-[(3-nitrophenyl…

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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) 3.62 7.31 -14.07 1 5 0 83 281.267 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(cyclopropylmethyl)-4-piperidylidene]indan-1-one 2-[1-(cyclopropylmethyl)-4-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) 3.15 11.38 -43.35 1 2 1 22 268.38 2 ↓
Hi High (pH 8-9.5) 3.15 9.19 -7.86 0 2 0 20 267.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-propanoyl-4-piperidylidene)indan-1-one 2-(1-propanoyl-4-piperidylidene)…

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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 8.95 -11.31 0 3 0 37 269.344 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(4-chloro-3-fluoro-phenyl)methylene]indan-1-one (2E)-2-[(4-chloro-3-fluoro-pheny…

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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) 4.51 10.03 -10.33 0 1 0 17 272.706 1 ↓

Analogs

17042944
17042944

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Popular Name: (2E)-2-[(3,5-dimethylphenyl)methylene]indan-1-one (2E)-2-[(3,5-dimethylphenyl)meth…

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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 10.78 -8.85 0 1 0 17 248.325 1 ↓

Analogs

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Popular Name: (2E)-2-[(3-chloro-4-hydroxy-phenyl)methylene]indan-1-one (2E)-2-[(3-chloro-4-hydroxy-phen…

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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) 4.13 7.3 -9.78 1 2 0 37 270.715 1 ↓
Hi High (pH 8-9.5) 4.13 8.07 -40.86 0 2 -1 40 269.707 1 ↓

Analogs

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Popular Name: (2Z)-4-chloro-2-[(5-nitro-3-thienyl)methylene]indan-1-one (2Z)-4-chloro-2-[(5-nitro-3-thie…

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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) 3.86 10.17 -8.4 0 4 0 63 305.742 2 ↓

Analogs

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Popular Name: (2Z)-4-chloro-2-[(3-chloro-4-hydroxy-phenyl)methylene]indan-1-one (2Z)-4-chloro-2-[(3-chloro-4-hyd…

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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) 4.76 7.95 -8.57 1 2 0 37 305.16 1 ↓
Hi High (pH 8-9.5) 4.76 8.71 -48.27 0 2 -1 40 304.152 1 ↓

Analogs

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Popular Name: (2Z)-4-chloro-2-[(1-methylpyrazol-4-yl)methylene]indan-1-one (2Z)-4-chloro-2-[(1-methylpyrazo…

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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) 2.57 7.97 -12.77 0 3 0 35 258.708 1 ↓

Analogs

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Popular Name: (2Z)-4-chloro-2-[(5-chloro-2-thienyl)methylene]indan-1-one (2Z)-4-chloro-2-[(5-chloro-2-thi…

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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) 4.89 9.98 -7.07 0 1 0 17 295.19 1 ↓

Analogs

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Popular Name: (2E)-2-[(5-bromo-3-thienyl)methylene]-4-chloro-indan-1-one (2E)-2-[(5-bromo-3-thienyl)methy…

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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) 4.71 9.64 -6.5 0 1 0 17 339.641 1 ↓

Analogs

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Popular Name: (2Z)-4-chloro-2-[(2-methylpyrazol-3-yl)methylene]indan-1-one (2Z)-4-chloro-2-[(2-methylpyrazo…

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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) 2.88 7.86 -11.02 0 3 0 35 258.708 1 ↓

Analogs

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Popular Name: (2E)-4-chloro-2-(thiadiazol-4-ylmethylene)indan-1-one (2E)-4-chloro-2-(thiadiazol-4-yl…

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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) 3.02 6.82 -9.83 0 3 0 43 262.721 1 ↓

Analogs

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Popular Name: (2Z)-4-chloro-2-[(2,5-difluorophenyl)methylene]indan-1-one (2Z)-4-chloro-2-[(2,5-difluoroph…

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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) 4.45 10.34 -7.01 0 1 0 17 290.696 1 ↓

Analogs

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Popular Name: (2Z)-4-chloro-2-[(3-fluorophenyl)methylene]indan-1-one (2Z)-4-chloro-2-[(3-fluorophenyl…

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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) 4.51 10.27 -6.77 0 1 0 17 272.706 1 ↓

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Popular Name: (2Z)-4-chloro-2-(p-tolylmethylene)indan-1-one (2Z)-4-chloro-2-(p-tolylmethylen…

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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) 4.82 10.88 -7.41 0 1 0 17 268.743 1 ↓

Parameters Provided:

ring.id = 6913
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 = 6913 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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