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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

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-acetyl-N-(2-chloro-3-isopropoxy-6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-4-yl)acetamide N-acetyl-N-(2-chloro-3-isopropox…

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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) 3.26 11.84 -22.29 0 6 0 77 391.851 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]ethoxy]benzoic 2-[2-[(6-oxo-7,8,9,10-tetrahydro…

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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) 4.78 2.16 -73.88 0 6 -1 89 379.388 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-3-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]butanoic (2R)-3-methyl-2-[(6-oxo-7,8,9,10…

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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) 3.51 2.74 -59.39 0 5 -1 80 315.345 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-3-methyl-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]butanoic (2S)-3-methyl-2-[(6-oxo-7,8,9,10…

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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) 3.51 2.58 -60.92 0 5 -1 80 315.345 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxymethyl]phenyl]acetic 2-[4-[(6-oxo-7,8,9,10-tetrahydro…

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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) 4.18 2.19 -56.6 0 5 -1 80 363.389 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxymethyl]benzoic 2-[(6-oxo-7,8,9,10-tetrahydroben…

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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 1.92 -50.24 0 5 -1 80 349.362 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-[(3R)-2-oxoazepan-3-yl]-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]propanamide (2R)-N-[(3R)-2-oxoazepan-3-yl]-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) 2.63 8.15 -22.54 2 7 0 98 398.459 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-[(3R)-2-oxoazepan-3-yl]-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]propanamide (2S)-N-[(3R)-2-oxoazepan-3-yl]-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) 2.63 8.19 -23.33 2 7 0 98 398.459 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-[(3S)-2-oxoazepan-3-yl]-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]propanamide (2R)-N-[(3S)-2-oxoazepan-3-yl]-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) 2.63 8.13 -23.37 2 7 0 98 398.459 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-[(3S)-2-oxoazepan-3-yl]-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]propanamide (2S)-N-[(3S)-2-oxoazepan-3-yl]-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) 2.63 8.18 -22.59 2 7 0 98 398.459 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) 6.41 16.16 -21.07 0 8 0 105 488.492 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydroxy-3-[(1S)-1-methyl-4-phenyl-butyl]-7,8,9,10-tetrahydrobenzo[c]isochromen-6-one 2-hydroxy-3-[(1S)-1-methyl-4-phe…

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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) 6.12 12.73 -11.6 1 3 0 50 362.469 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydroxy-3-[(1R)-1-methyl-4-phenyl-butyl]-7,8,9,10-tetrahydrobenzo[c]isochromen-6-one 2-hydroxy-3-[(1R)-1-methyl-4-phe…

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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) 6.12 12.73 -11.55 1 3 0 50 362.469 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-oxo-N-(6-oxo-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)acetamide 2-oxo-N-(6-oxo-7,8,9,10-tetrahyd…

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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) 2.10 7.38 -28.98 1 5 0 76 271.272 2 ↓

    Analogs

    622111
    622111
    622201
    622201

    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) 5.13 3.88 -15.47 0 4 0 56 362.425 4 ↓

    Analogs

    1182294
    1182294

    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) 5.36 3.17 -14.51 0 4 0 56 382.843 4 ↓

    Analogs

    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) 5.16 3.06 -11.93 0 4 0 48 350.414 4 ↓

    Analogs

    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) 5.39 2.29 -11.49 0 4 0 48 370.832 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2,4-difluorobenzyl)oxy-4-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-6-one 3-(2,4-difluorobenzyl)oxy-4-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) 5.38 4.32 -12.43 0 3 0 39 356.368 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-3-hydroxy-4-(propylaminomethyl)-7,8,9,10-tetrahydrobenzo[c]isochromen-6-one 2-chloro-3-hydroxy-4-(propylamin…

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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 7.6 -42.58 3 4 1 67 322.812 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]acetonitrile 2-[(6-keto-7,8,9,10-tetrahydrobe…

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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) 2.94 3.29 -20.91 0 4 0 63 255.273 2 ↓

    Analogs

    1947010
    1947010

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-benzoyl-4-chloro-phenyl)-2-[(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]acetamide N-(2-benzoyl-4-chloro-phenyl)-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) 6.02 2.05 -22.35 1 6 0 85 487.939 6 ↓

    Analogs

    13749006
    13749006
    13749009
    13749009
    13749011
    13749011

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-4-methyl-2-(tosylamino)valeric-acid-(2-chloro-6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl (2S)-4-methyl-2-(tosylamino)vale…

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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) 5.83 -0.21 -16.07 1 7 0 102 518.031 8 ↓

    Analogs

    13749006
    13749006
    13749009
    13749009
    13749011
    13749011

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-4-methyl-2-(tosylamino)valeric-acid-(2-chloro-6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl (2R)-4-methyl-2-(tosylamino)vale…

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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) 5.83 -0.46 -19.41 1 7 0 102 518.031 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-(benzyloxycarbonylamino)hexanoic-acid-(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)-ester 6-(benzyloxycarbonylamino)hexano…

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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) 5.22 1.99 -19.25 1 7 0 94 463.53 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(benzyloxycarbonylamino)propionic-acid-(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)-ester 3-(benzyloxycarbonylamino)propio…

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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) 3.94 12.05 -20.19 1 7 0 95 421.449 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-hexoxy-7,8,9,10-tetrahydrobenzo[c]isochromen-6-one 3-hexoxy-7,8,9,10-tetrahydrobenz…

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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) 5.61 2.65 -12.25 0 3 0 39 300.398 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[2-[(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]acetyl]amino]valerate (2S)-2-[[2-[(6-keto-7,8,9,10-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) 1.48 1.02 -67.5 1 7 -1 108 372.397 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[2-[(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]acetyl]amino]valerate (2R)-2-[[2-[(6-keto-7,8,9,10-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) 1.48 1.02 -67.49 1 7 -1 108 372.397 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tosylamino)propionic-acid-(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)-ester (2S)-2-(tosylamino)propionic-aci…

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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) 3.92 -1.23 -18.69 1 7 0 102 441.505 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(tosylamino)propionic-acid-(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)-ester (2R)-2-(tosylamino)propionic-aci…

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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) 3.92 -1.26 -20.09 1 7 0 102 441.505 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tosylamino)propionic-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)-ester (2S)-2-(tosylamino)propionic-aci…

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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) 4.29 -0.94 -19.59 1 7 0 102 455.532 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(tosylamino)propionic-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)-ester (2R)-2-(tosylamino)propionic-aci…

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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) 4.29 -0.97 -21.63 1 7 0 102 455.532 6 ↓

    Analogs

    8743613
    8743613

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-5-[[amino(iminio)methyl]amino]-2-[[2-[(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]ac (2S)-5-[[amino(iminio)methyl]ami…

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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) -0.56 -3.78 -86.26 6 10 0 172 430.461 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tosylamino)propionic-acid-(6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-1-yl)-ester (2S)-2-(tosylamino)propionic-aci…

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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) 4.29 -1.13 -18.45 1 7 0 102 455.532 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(tosylamino)propionic-acid-(6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-1-yl)-ester (2R)-2-(tosylamino)propionic-aci…

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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) 4.29 -1.25 -19.25 1 7 0 102 455.532 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butyric-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c] (2S)-2-(tert-butoxycarbonylamino…

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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) 6.55 11.93 -14.54 1 7 0 95 429.513 7 ↓

    Analogs

    5047477
    5047477
    5047478
    5047478

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,3R)-2-(tert-butoxycarbonylamino)-3-methyl-valeric-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo (2S,3R)-2-(tert-butoxycarbonylam…

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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) 7.05 3.56 -13.28 1 7 0 95 443.54 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-3-(1H-indol-3-yl)-2-(tosylamino)propionic-acid-(6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]isoc (2S)-3-(1H-indol-3-yl)-2-(tosyla…

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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) 5.90 14.53 -23.23 2 8 0 118 570.667 8 ↓

    Analogs

    9034037
    9034037

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-2-[2-[(6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-1-yl)oxy]acetyl]-1,3,4,9-tetrahydr (3R)-2-[2-[(6-keto-3-methyl-7,8,…

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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) 4.56 15.32 -27.38 1 8 0 102 500.551 5 ↓

    Analogs

    3398337
    3398337

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-keto-2-(5-methoxy-1,2-dimethyl-indol-3-yl)ethoxy]-7,8,9,10-tetrahydrobenzo[c]isochromen-6-one 3-[2-keto-2-(5-methoxy-1,2-dimet…

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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) 4.78 3.53 -25.13 0 6 0 70 431.488 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)propionic-acid-(6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]isochrom (2S)-2-(tert-butoxycarbonylamino…

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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) 5.77 2.62 -12.71 1 7 0 94 401.459 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c] (2S)-2-(benzyloxycarbonylamino)-…

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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) 7.64 2.55 -16.91 1 7 0 94 511.574 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic-acid-(6-keto-7,8,9,10-tetrahydrobenzo[c]isochro (2S)-2-(tert-butoxycarbonylamino…

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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) 6.85 2.46 -13.59 1 7 0 94 463.53 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-(1,2-dimethylindol-3-yl)-2-keto-ethoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-6-one 3-[2-(1,2-dimethylindol-3-yl)-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) 5.12 3.72 -20.69 0 5 0 61 415.489 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-4-methyl-2-(tosylamino)valeric-acid-(6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-1-yl (2S)-4-methyl-2-(tosylamino)vale…

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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) 5.60 -0.5 -17.31 1 7 0 102 497.613 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-4-methyl-2-(tosylamino)valeric-acid-(6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]isochromen-1-yl (2R)-4-methyl-2-(tosylamino)vale…

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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) 5.60 -0.54 -20.86 1 7 0 102 497.613 8 ↓

    Analogs

    9034075
    9034075

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-2-[2-[(6-keto-7,8,9,10-tetrahydrobenzo[c]isochromen-3-yl)oxy]acetyl]-1,3,4,9-tetrahydro-$b-carb (3R)-2-[2-[(6-keto-7,8,9,10-tetr…

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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) 4.19 14.45 -34.98 1 8 0 102 486.524 5 ↓

    Analogs

    16031480
    16031480

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric-acid-(6-keto-4-methyl-7,8,9,10-tetrahydrobenzo[c]is (2S)-2-(benzyloxycarbonylamino)-…

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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) 6.96 2.62 -15.51 1 7 0 94 463.53 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic-acid-(6-keto-7,8,9,10-tetrahydrobenzo[c]i (2S)-2-(benzyloxycarbonylamino)-…

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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) 7.41 1.13 -17.48 2 8 0 110 536.584 9 ↓

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