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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

39225938
39225938
39225939
39225939
39225942
39225942
39227770
39227770

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(acetyl-oxo-BLAHyl)oxy-N-(4-pyridylmethyl)acetamide 2-(acetyl-oxo-BLAHyl)oxy-N-(4-py…

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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) 0.70 -1.95 -20.06 1 8 0 97 423.469 5 ↓
Lo Low (pH 4.5-6) 0.70 -1.84 -54.5 2 8 1 99 424.477 5 ↓

Analogs

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Popular Name: 2-(oxoBLAHyl)oxy-N-(3-pyridyl)acetamide 2-(oxoBLAHyl)oxy-N-(3-pyridyl)ac…

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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) 3.34 8.15 -15.81 1 6 0 78 366.417 4 ↓
Lo Low (pH 4.5-6) 3.34 -0.47 -46.53 2 6 1 78 367.425 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(oxoBLAHyl)oxy-N-(2-pyridyl)acetamide 2-(oxoBLAHyl)oxy-N-(2-pyridyl)ac…

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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) 3.51 9.63 -19.69 1 6 0 78 366.417 4 ↓
Lo Low (pH 4.5-6) 3.51 -0.42 -38.49 2 6 1 78 367.425 4 ↓

Analogs

33832919
33832919

Draw Identity 99% 90% 80% 70%

Popular Name: 9-methoxy-2,2-dimethyl-3H-benzo[g]chromene-4,5,10-trione 9-methoxy-2,2-dimethyl-3H-benzo[…

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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) 2.05 8.35 -14.91 0 5 0 70 286.283 1 ↓

Analogs

44827440
44827440

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Popular Name: (E)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-[(3R)-4-oxochroman-3-yl]prop-2-enenitrile (E)-2-[4-(3,4-dimethoxyphenyl)th…

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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) 3.32 9.58 -18.57 0 6 0 81 418.474 5 ↓

Analogs

44827437
44827437

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Popular Name: (E)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-[(3S)-4-oxochroman-3-yl]prop-2-enenitrile (E)-2-[4-(3,4-dimethoxyphenyl)th…

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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) 3.32 9.59 -18.51 0 6 0 81 418.474 5 ↓

Analogs

58114
58114

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Popular Name: 4-[(2R)-4-oxochroman-2-yl]benzoic 4-[(2R)-4-oxochroman-2-yl]benzoic

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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) 3.09 7.65 -51.92 0 4 -1 66 267.26 2 ↓

Analogs

58114
58114

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Popular Name: 4-[(2S)-4-oxochroman-2-yl]benzoic 4-[(2S)-4-oxochroman-2-yl]benzoic

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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) 3.09 7.67 -52.14 0 4 -1 66 267.26 2 ↓

Analogs

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Popular Name: 4-[(2S)-6-chloro-4-oxo-chroman-2-yl]benzoic 4-[(2S)-6-chloro-4-oxo-chroman-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) 3.75 8.18 -51.12 0 4 -1 66 301.705 2 ↓

Analogs

57886
57886

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-6-chloro-4-oxo-chroman-2-yl]benzoic 4-[(2R)-6-chloro-4-oxo-chroman-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) 3.75 8.16 -50.91 0 4 -1 66 301.705 2 ↓

Analogs

3130958
3130958

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Popular Name: (3R)-3-(4-hydroxyphenyl)-7-methoxy-chroman-4-one (3R)-3-(4-hydroxyphenyl)-7-metho…

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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) 2.95 4.08 -9.05 1 4 0 56 270.284 2 ↓

Analogs

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Popular Name: 6-bromospiro[chromane-3,1'-cyclopropane]-4-one 6-bromospiro[chromane-3,1'-cyclo…

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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) 2.56 6.19 -6.75 0 2 0 26 253.095 0 ↓

Analogs

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Popular Name: 6-propylchroman-4-one 6-propylchroman-4-one

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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 6.46 -6.57 0 2 0 26 190.242 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-8-amino-6-fluoro-4-oxo-chroman-2-carboxylic (2S)-8-amino-6-fluoro-4-oxo-chro…

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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) 0.39 2.7 -41.76 2 5 -1 92 224.167 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-8-amino-6-fluoro-4-oxo-chroman-2-carboxylic (2R)-8-amino-6-fluoro-4-oxo-chro…

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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) 0.39 2.7 -41.67 2 5 -1 92 224.167 1 ↓

Analogs

11813632
11813632
15077852
15077852
15077854
15077854
39308249
39308249
39308267
39308267

Draw Identity 99% 90% 80% 70%

Popular Name: N,6,6-trimethyl-4-oxo-N-[(3R)-1-(3-phenylpropyl)-3-piperidyl]-5H-pyran-2-carboxamide N,6,6-trimethyl-4-oxo-N-[(3R)-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) 3.32 1.75 -47.14 1 5 1 51 385.528 6 ↓

Analogs

15077852
15077852
15077854
15077854
39308249
39308249
39308259
39308259
39308261
39308261

Draw Identity 99% 90% 80% 70%

Popular Name: N,6,6-trimethyl-4-oxo-N-[(3S)-1-(3-phenylpropyl)-3-piperidyl]-5H-pyran-2-carboxamide N,6,6-trimethyl-4-oxo-N-[(3S)-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) 3.32 2.04 -49.77 1 5 1 51 385.528 6 ↓

Analogs

11814752
11814752

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-[1-(6,6-dimethyl-4-oxo-5H-pyran-2-carbonyl)-4-piperidyl]-3-[2-(4-methoxyphenyl)ethyl]-5-methy (5S)-5-[1-(6,6-dimethyl-4-oxo-5H…

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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) 2.51 8.47 -17.36 1 9 0 105 483.565 6 ↓

Analogs

11814751
11814751

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-[1-(6,6-dimethyl-4-oxo-5H-pyran-2-carbonyl)-4-piperidyl]-3-[2-(4-methoxyphenyl)ethyl]-5-methy (5R)-5-[1-(6,6-dimethyl-4-oxo-5H…

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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) 2.51 8.14 -16.83 1 9 0 105 483.565 6 ↓

Analogs

11816850
11816850

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one 6-[(3R)-3-(2,3-dihydro-1,4-benzo…

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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) 2.62 -1.89 -14.77 1 7 0 77 386.448 3 ↓

Analogs

11816849
11816849

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidine-1-carbonyl]-2,2-dimethyl-3H-pyran-4-one 6-[(3S)-3-(2,3-dihydro-1,4-benzo…

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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) 2.62 -1.89 -14.73 1 7 0 77 386.448 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4R,5S,6R)-N-[(1-isopropyl-4-piperidyl)methyl]-N-methyl-4'-oxo-spiro[bicyclo[3.1.0]hexane-4,2'-ch (1R,4R,5S,6R)-N-[(1-isopropyl-4-…

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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) 4.22 13.38 -41.41 1 5 1 51 411.566 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4R,5S,6S)-N-[(1-isopropyl-4-piperidyl)methyl]-N-methyl-4'-oxo-spiro[bicyclo[3.1.0]hexane-4,2'-ch (1R,4R,5S,6S)-N-[(1-isopropyl-4-…

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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) 4.22 12.68 -41.6 1 5 1 51 411.566 4 ↓

Analogs

11817887
11817887

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]-6,6-dimethyl-4-oxo-5H-pyran-2-carboxam N-[(4S)-6,6-dimethyl-1-(o-tolyl)…

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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) 2.98 10.48 -14.22 1 6 0 73 407.514 3 ↓

Analogs

11817886
11817886

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-6,6-dimethyl-1-(o-tolyl)-5,7-dihydro-4H-indazol-4-yl]-6,6-dimethyl-4-oxo-5H-pyran-2-carboxam N-[(4R)-6,6-dimethyl-1-(o-tolyl)…

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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) 2.98 10.49 -14.28 1 6 0 73 407.514 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-isopropylpyrazol-3-yl)-2-(7-methoxy-4-oxo-spiro[chroman-2,4'-piperidine]-1'-yl)acetamide N-(2-isopropylpyrazol-3-yl)-2-(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) 2.61 9.01 -61.07 2 8 1 87 413.498 5 ↓
Hi High (pH 8-9.5) 2.61 6.79 -19.22 1 8 0 86 412.49 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[3-(4-chlorophenyl)1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl]-2,2-dimethyl-3H-pyran-4-o 6-[3-(4-chlorophenyl)1,4,6,7-tet…

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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) 2.92 7.58 -11.64 1 6 0 75 385.851 2 ↓

Analogs

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Popular Name: (7S)-7-(4-chlorophenyl)-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1,7-dimethyl-8H-furo[3,2-f]chr (7S)-7-(4-chlorophenyl)-2-[(3S,5…

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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) 6.26 13.29 -11.86 0 5 0 60 465.977 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(4-chlorophenyl)-2-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1,7-dimethyl-8H-furo[3,2-f]chr (7S)-7-(4-chlorophenyl)-2-[(3S,5…

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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) 6.26 13.47 -11.83 0 5 0 60 465.977 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-(6,6-dimethyl-4-oxo-5H-pyran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl] N-[[7-(6,6-dimethyl-4-oxo-5H-pyr…

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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) 1.54 -5.2 -19.74 1 8 0 106 469.563 5 ↓
Lo Low (pH 4.5-6) 1.54 -5.14 -55.22 2 8 1 107 470.571 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[7-(6,6-dimethyl-4-oxo-5H-pyran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl] N-[[7-(6,6-dimethyl-4-oxo-5H-pyr…

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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) 1.35 -1.97 -17.61 1 7 0 89 453.564 5 ↓
Lo Low (pH 4.5-6) 1.35 -1.9 -55.7 2 7 1 90 454.572 5 ↓

Analogs

11842177
11842177
39308259
39308259
39308261
39308261

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-6-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-3H-pyran-4-one 2,2-dimethyl-6-[(3R)-3-[3-(trifl…

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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) 3.37 9.74 -13.52 0 5 0 64 409.404 4 ↓

Analogs

39308259
39308259
39308261
39308261
11842175
11842175

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-6-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-3H-pyran-4-one 2,2-dimethyl-6-[(3S)-3-[3-(trifl…

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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) 3.37 9.72 -15.73 0 5 0 64 409.404 4 ↓

Analogs

39308263
39308263
39308265
39308265
6663558
6663558
6670654
6670654

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-N-[[1-[(2-methoxyphenyl)methyl]-4-piperidyl]methyl]-6,6-dimethyl-4-oxo-5H-pyran-2-carboxa N-isobutyl-N-[[1-[(2-methoxyphen…

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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) 3.91 2.73 -44.38 1 6 1 60 443.608 8 ↓

Analogs

39226834
39226834

Draw Identity 99% 90% 80% 70%

Popular Name: spiro[chromane-2,3'-pyrrolidin]-4-one hydrochloride spiro[chromane-2,3'-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) 1.58 4.22 -48.55 2 3 1 43 204.249 0 ↓
Hi High (pH 8-9.5) 1.58 2.78 -6 1 3 0 38 203.241 0 ↓

Analogs

39226834
39226834

Draw Identity 99% 90% 80% 70%

Popular Name: spiro[chromane-2,3'-pyrrolidin]-4-one hydrochloride spiro[chromane-2,3'-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) 1.58 4.2 -44.19 2 3 1 43 204.249 0 ↓
Hi High (pH 8-9.5) 1.58 2.77 -6.73 1 3 0 38 203.241 0 ↓

Analogs

11996041
11996041

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Popular Name: (2R)-N-[[7-(6,6-dimethyl-4-oxo-5H-pyran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]di (2R)-N-[[7-(6,6-dimethyl-4-oxo-5…

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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) 0.48 -0.89 -18.68 1 9 0 106 403.483 5 ↓

Analogs

11996040
11996040

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Popular Name: (2S)-N-[[7-(6,6-dimethyl-4-oxo-5H-pyran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]di (2S)-N-[[7-(6,6-dimethyl-4-oxo-5…

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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) 0.48 -0.89 -18.73 1 9 0 106 403.483 5 ↓

Analogs

36142593
36142593

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Popular Name: 6-amino-3,4-dihydro-2H-1-benzopyran-4-one 6-amino-3,4-dihydro-2H-1-benzopy…

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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) 0.65 2.12 -7.35 2 3 0 52 163.176 0 ↓

Analogs

36142856
36142856

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Popular Name: 6-aminospiro[chromane-2,1'-cyclopentane]-4-one 6-aminospiro[chromane-2,1'-cyclo…

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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) 2.12 4.63 -6.73 2 3 0 52 217.268 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-amino-1'-methyl-spiro[chromane-2,4'-piperidine]-4-one 6-amino-1'-methyl-spiro[chromane…

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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) 1.14 5.11 -42.35 3 4 1 57 247.318 0 ↓
Hi High (pH 8-9.5) 1.14 2.73 -6.63 2 4 0 56 246.31 0 ↓

Analogs

39616662
39616662
59842912
59842912

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Popular Name: 7-aminochroman-4-one 7-aminochroman-4-one

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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) 0.65 2.11 -7.89 2 3 0 52 163.176 0 ↓

Analogs

36142538
36142538

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Popular Name: 7-amino-2,2-dimethyl-chroman-4-one 7-amino-2,2-dimethyl-chroman-4-one

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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) 1.46 3.34 -7.45 2 3 0 52 191.23 0 ↓

Analogs

36142531
36142531

Draw Identity 99% 90% 80% 70%

Popular Name: 7-aminospiro[chromane-2,1'-cyclohexane]-4-one 7-aminospiro[chromane-2,1'-cyclo…

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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) 2.63 5.29 -7.15 2 3 0 52 231.295 0 ↓

Analogs

85958
85958

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Popular Name: (2R)-7-amino-2-(4-chlorophenyl)chroman-4-one (2R)-7-amino-2-(4-chlorophenyl)c…

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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 6.43 -7.31 2 3 0 52 273.719 1 ↓

Analogs

49588563
49588563
36142465
36142465
12462557
12462557

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Popular Name: 8-amino-6-methyl-chroman-4-one 8-amino-6-methyl-chroman-4-one

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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) 1.44 2.9 -7.36 2 3 0 52 177.203 0 ↓

Analogs

60052738
60052738
11525753
11525753

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Popular Name: 8-amino-6-fluoro-chroman-4-one 8-amino-6-fluoro-chroman-4-one

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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) 1.15 2.3 -7.58 2 3 0 52 181.166 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-amino-6-chloro-chroman-4-one 8-amino-6-chloro-chroman-4-one

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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) 1.67 2.74 -7 2 3 0 52 197.621 0 ↓

Analogs

12647904
12647904
12647908
12647908

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-8-amino-6-bromo-2-ethyl-2-methyl-chroman-4-one (2S)-8-amino-6-bromo-2-ethyl-2-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) 3.11 4.74 -6.07 2 3 0 52 284.153 1 ↓

Analogs

12359503
12359503
12359502
12359502
389966
389966

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Popular Name: 3-[(2S)-6,7-dimethyl-4-oxo-chroman-2-yl]benzoic 3-[(2S)-6,7-dimethyl-4-oxo-chrom…

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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) 3.87 9.83 -51.07 0 4 -1 66 295.314 2 ↓

Parameters Provided:

ring.id = 6689
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 = 6689 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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