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

    Analogs

    41663588
    41663588
    41663909
    41663909
    41663915
    41663915
    61966145
    61966145

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-hydroxypropyl-(4-methoxyphenyl)-BLAHone 3-hydroxypropyl-(4-methoxyphenyl…

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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) 3.05 6.93 -47.25 2 6 1 73 368.409 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 4.30 1 -16.99 0 6 0 68 399.83 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 4.39 1.66 -16.44 0 6 0 68 417.82 4 ↓

    Analogs

    20934022
    20934022
    41663469
    41663469
    41663516
    41663516
    41663696
    41663696
    41663958
    41663958

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 5.38 10.43 -13.1 0 4 0 43 403.865 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-benzyl-6-chloro-9-[(4-fluorophenyl)methyl]-4-methyl-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 3-benzyl-6-chloro-9-[(4-fluoroph…

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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) 6.06 12.35 -12.99 0 4 0 43 449.909 4 ↓

    Analogs

    19882370
    19882370

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-chloro-4-propyl-9-(p-tolylmethyl)-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 6-chloro-4-propyl-9-(p-tolylmeth…

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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) 5.31 10.44 -9.15 0 4 0 43 383.875 4 ↓

    Analogs

    41666082
    41666082
    41666326
    41666326
    41666571
    41666571
    41666809
    41666809
    41667049
    41667049

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[2-(4-fluorophenyl)ethyl]-4-methyl-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 9-[2-(4-fluorophenyl)ethyl]-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) 3.97 8.68 -13.96 0 4 0 43 339.366 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-butyl-6-chloro-9-[(4-fluorophenyl)methyl]-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 4-butyl-6-chloro-9-[(4-fluorophe…

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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) 5.59 10.61 -10.28 0 4 0 43 401.865 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-(1-benzyl-4-piperidyl)-6-chloro-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(1-benzyl-4-piperidyl)-6-chlor…

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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 11.65 -46.44 1 5 1 47 439.963 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-(1-benzyl-4-piperidyl)-6-chloro-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(1-benzyl-4-piperidyl)-6-chlor…

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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) 4.80 11.42 -47.07 1 5 1 47 439.963 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.79 11.61 -52.49 1 7 1 73 463.554 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-(1-benzyl-4-piperidyl)-4-(4-methoxyphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(1-benzyl-4-piperidyl)-4-(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) 5.23 12.83 -45.67 1 6 1 56 483.588 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-(1-benzyl-4-piperidyl)-6-chloro-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(1-benzyl-4-piperidyl)-6-chlor…

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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) 4.43 11.12 -45.32 1 5 1 47 425.936 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,9-dibenzyl-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3,9-dibenzyl-4-methyl-8,10-dihyd…

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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) 5.29 11.74 -14.3 0 4 0 43 397.474 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-benzyl-9-[(4-chlorophenyl)methyl]-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-benzyl-9-[(4-chlorophenyl)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) 5.97 12.26 -14.26 0 4 0 43 431.919 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-4-propyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(1,3-benzodioxol-5-ylmethyl)-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) 4.15 7.84 -13.23 0 6 0 61 379.412 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-butyl-3-ethyl-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-butyl-3-ethyl-4-methyl-8,10-di…

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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) 4.28 7.53 -11.84 0 4 0 43 301.386 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethyl-9-[(3-methoxyphenyl)methyl]-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-ethyl-9-[(3-methoxyphenyl)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) 4.28 8.25 -13.25 0 5 0 52 365.429 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(1,3-benzodioxol-5-ylmethyl)-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) 3.76 7.06 -13.55 0 6 0 61 365.385 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-ethyl-9-[(2-methoxyphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-ethyl-9-[(2-methoxyphenyl)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) 3.88 7.83 -13.15 0 5 0 52 351.402 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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 0.81 -12.86 0 4 0 42 339.366 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-(3-chloro-4-methyl-phenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(3-chloro-4-methyl-phenyl)-4-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) 4.75 -0.21 -12.77 0 4 0 42 341.794 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 4.24 0.42 -12.92 0 4 0 42 325.339 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-(3,4-dichlorophenyl)-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(3,4-dichlorophenyl)-4-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) 4.99 -0.75 -13.8 0 4 0 42 362.212 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-keto-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoic-acid-methyl-ester 3-(2-keto-4-methyl-8,10-dihydrop…

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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 0.61 -14.7 0 6 0 68 351.358 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-methyl-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 9-methyl-8,10-dihydropyrano[6,5-…

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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) 1.63 3.34 -12.39 0 4 0 43 217.224 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 1.96 5.11 -18.65 0 7 0 78 347.367 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    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) 3.10 7.86 -17 0 6 0 69 345.395 5 ↓

    Analogs

    41663637
    41663637
    41664291
    41664291
    41664465
    41664465
    41664630
    41664630
    41665061
    41665061

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-methoxyphenyl)-9-(4-pyridylmethyl)-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 3-(4-methoxyphenyl)-9-(4-pyridyl…

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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) 3.52 8.16 -14.4 0 6 0 65 400.434 4 ↓
    Lo Low (pH 4.5-6) 3.52 11.37 -113.98 2 6 2 67 402.45 4 ↓
    Lo Low (pH 4.5-6) 3.52 8.61 -44.78 1 6 1 66 401.442 4 ↓

    Analogs

    41663833
    41663833
    41664291
    41664291
    41664343
    41664343
    41664388
    41664388
    41664393
    41664393

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-chlorophenyl)-9-(4-pyridylmethyl)-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 3-(4-chlorophenyl)-9-(4-pyridylm…

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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) 4.14 9.37 -13.31 0 5 0 56 404.853 3 ↓
    Lo Low (pH 4.5-6) 4.14 12.59 -113.35 2 5 2 58 406.869 3 ↓
    Lo Low (pH 4.5-6) 4.14 9.83 -43.7 1 5 1 57 405.861 3 ↓

    Analogs

    41664370
    41664370
    41664409
    41664409
    41664415
    41664415
    41664421
    41664421
    41664427
    41664427

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-(1-benzyl-4-piperidyl)-3-phenyl-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 9-(1-benzyl-4-piperidyl)-3-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) 5.17 13.36 -50.38 1 5 1 47 453.562 4 ↓

    Analogs

    41663550
    41663550
    41663749
    41663749
    41663886
    41663886
    41664022
    41664022
    41664211
    41664211

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-(2-methoxyethyl)-3-phenyl-8,10-dihydropyrano[6,5-f][1,3]benzoxazin-2-one 9-(2-methoxyethyl)-3-phenyl-8,10…

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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 6.82 -13.2 0 5 0 52 337.375 4 ↓

    Analogs

    19882494
    19882494
    19882500
    19882500

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[2-(4-fluorophenyl)ethyl]-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-[2-(4-fluorophenyl)ethyl]-4-(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) 5.32 12.8 -16.84 0 6 0 73 469.468 4 ↓
    Mid Mid (pH 6-8) 5.32 15.63 -56.92 1 6 1 74 470.476 4 ↓

    Analogs

    20403890
    20403890

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-oxochromen-3-yl)-9-(p-tolylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(2-oxochromen-3-yl)-9-(p-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) 5.20 12.54 -15.41 0 6 0 73 451.478 3 ↓
    Lo Low (pH 4.5-6) 5.20 15.39 -48.46 1 6 1 74 452.486 3 ↓

    Analogs

    19882541
    19882541
    19882546
    19882546

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-on 9-[2-(3,4-dimethoxyphenyl)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) 4.80 11.9 -19.72 0 8 0 91 511.53 6 ↓
    Mid Mid (pH 6-8) 4.80 14.77 -58.49 1 8 1 93 512.538 6 ↓

    Analogs

    20358200
    20358200
    20934022
    20934022

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[(2-chlorophenyl)methyl]-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-[(2-chlorophenyl)methyl]-4-(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) 5.38 12.49 -17.08 0 6 0 73 471.896 3 ↓
    Lo Low (pH 4.5-6) 5.38 15.23 -46.54 1 6 1 74 472.904 3 ↓

    Analogs

    20411928
    20411928

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[2-(4-methoxyphenyl)ethyl]-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-[2-(4-methoxyphenyl)ethyl]-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) 5.21 12 -17.1 0 7 0 82 481.504 5 ↓
    Mid Mid (pH 6-8) 5.21 14.87 -54.32 1 7 1 83 482.512 5 ↓

    Analogs

    20411921
    20411921
    20933986
    20933986

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[(4-fluorophenyl)methyl]-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-[(4-fluorophenyl)methyl]-4-(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) 4.92 11.95 -16.5 0 6 0 73 455.441 3 ↓
    Lo Low (pH 4.5-6) 4.92 14.79 -54.75 1 6 1 74 456.449 3 ↓

    Analogs

    20933992
    20933992
    19882350
    19882350

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[(4-chlorophenyl)methyl]-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-[(4-chlorophenyl)methyl]-4-(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) 5.43 12.41 -15.8 0 6 0 73 471.896 3 ↓
    Lo Low (pH 4.5-6) 5.43 15.24 -53.77 1 6 1 74 472.904 3 ↓

    Analogs

    13731559
    13731559
    19882409
    19882409

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[(3,4-dimethoxyphenyl)methyl]-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-[(3,4-dimethoxyphenyl)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) 4.40 11.05 -19.76 0 8 0 91 497.503 5 ↓
    Lo Low (pH 4.5-6) 4.40 13.91 -56.08 1 8 1 93 498.511 5 ↓

    Analogs

    13724841
    13724841
    13735207
    13735207

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-oxochromen-3-yl)-9-(3-phenylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(2-oxochromen-3-yl)-9-(3-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) 5.68 13.49 -16 0 6 0 73 465.505 5 ↓
    Mid Mid (pH 6-8) 5.68 16.36 -51.11 1 6 1 74 466.513 5 ↓

    Analogs

    20713911
    20713911
    20677968
    20677968

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-oxochromen-3-yl)-9-(2-thienylmethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(2-oxochromen-3-yl)-9-(2-thien…

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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) 4.65 11.04 -16.02 0 6 0 73 443.48 3 ↓

    Analogs

    20412288
    20412288
    19882509
    19882509

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[2-(4-chlorophenyl)ethyl]-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-[2-(4-chlorophenyl)ethyl]-4-(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) 5.84 13.25 -16.11 0 6 0 73 485.923 4 ↓
    Lo Low (pH 4.5-6) 5.84 16.09 -55.62 1 6 1 74 486.931 4 ↓

    Analogs

    20610322
    20610322
    20358200
    20358200

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[(2,4-dichlorophenyl)methyl]-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-[(2,4-dichlorophenyl)methyl]-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) 6.04 13 -17.14 0 6 0 73 506.341 3 ↓
    Lo Low (pH 4.5-6) 6.04 15.75 -51.03 1 6 1 74 507.349 3 ↓

    Analogs

    20609878
    20609878
    19882356
    19882356

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[(3,4-dichlorophenyl)methyl]-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-[(3,4-dichlorophenyl)methyl]-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) 6.04 12.86 -15.96 0 6 0 73 506.341 3 ↓
    Lo Low (pH 4.5-6) 6.04 15.7 -56.37 1 6 1 74 507.349 3 ↓

    Analogs

    20610176
    20610176
    20412288
    20412288

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[2-(2-chlorophenyl)ethyl]-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-[2-(2-chlorophenyl)ethyl]-4-(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) 5.79 13.13 -16.9 0 6 0 73 485.923 4 ↓
    Lo Low (pH 4.5-6) 5.79 15.98 -50.13 1 6 1 74 486.931 4 ↓

    Analogs

    20610441
    20610441
    20610443
    20610443

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-oxochromen-3-yl)-9-[(1S)-1-phenylethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(2-oxochromen-3-yl)-9-[(1S)-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) 5.31 12.91 -14.45 0 6 0 73 451.478 3 ↓
    Lo Low (pH 4.5-6) 5.31 15.39 -44.5 1 6 1 74 452.486 3 ↓

    Analogs

    20610441
    20610441
    20610443
    20610443

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-oxochromen-3-yl)-9-[(1R)-1-phenylethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(2-oxochromen-3-yl)-9-[(1R)-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) 5.31 12.77 -16.15 0 6 0 73 451.478 3 ↓
    Lo Low (pH 4.5-6) 5.31 15.39 -47.13 1 6 1 74 452.486 3 ↓

    Analogs

    12442387
    12442387
    12442391
    12442391
    6755447
    6755447

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-cyclopropyl-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-cyclopropyl-4-(2-oxochromen-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) 3.72 9.56 -14.58 0 6 0 73 387.391 2 ↓
    Mid Mid (pH 6-8) 3.72 12.51 -43.51 1 6 1 74 388.399 2 ↓

    Analogs

    13684449
    13684449
    9051268
    9051268

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-(2-methoxyethyl)-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-(2-methoxyethyl)-4-(2-oxochrom…

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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 8.07 -16.81 0 7 0 82 405.406 4 ↓
    Lo Low (pH 4.5-6) 3.34 10.95 -46.5 1 7 1 83 406.414 4 ↓

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